Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 6:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaS.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 39 11 1034 640 105 Max 54 40 12 1038 658 108 Sum 1933 1425 421 37297 23385 3851 bravais-lattice index = 14 lattice parameter (alat) = 15.2739 a.u. unit-cell volume = 593.1830 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.273863 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.900533 celldm(5)= 0.900533 celldm(6)= 0.900533 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.900533 0.434788 0.000000 ) a(3) = ( 0.900533 0.206017 0.382881 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.071198 -1.237542 ) b(2) = ( 0.000000 2.299970 -1.237542 ) b(3) = ( 0.000000 0.000000 2.611775 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ga 13.00 69.72300 Ga( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 329 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0098039 -0.0203059 -0.0121328), wk = 0.0030395 k( 3) = ( 0.0196078 -0.0406117 -0.0242655), wk = 0.0030395 k( 4) = ( 0.0294118 -0.0609176 -0.0363983), wk = 0.0030395 k( 5) = ( 0.0392157 -0.0812235 -0.0485311), wk = 0.0030395 k( 6) = ( 0.0490196 -0.1015293 -0.0606638), wk = 0.0030395 k( 7) = ( 0.0588235 -0.1218352 -0.0727966), wk = 0.0030395 k( 8) = ( 0.0686275 -0.1421410 -0.0849294), wk = 0.0030395 k( 9) = ( 0.0784314 -0.1624469 -0.0970621), wk = 0.0030395 k( 10) = ( 0.0882353 -0.1827527 -0.1091949), wk = 0.0030395 k( 11) = ( 0.0980392 -0.2030586 -0.1213277), wk = 0.0030395 k( 12) = ( 0.1078431 -0.2233645 -0.1334604), wk = 0.0030395 k( 13) = ( 0.1176471 -0.2436703 -0.1455932), wk = 0.0030395 k( 14) = ( 0.1274510 -0.2639762 -0.1577259), wk = 0.0030395 k( 15) = ( 0.1372549 -0.2842820 -0.1698587), wk = 0.0030395 k( 16) = ( 0.1470588 -0.3045879 -0.1819915), wk = 0.0030395 k( 17) = ( 0.1568627 -0.3248938 -0.1941242), wk = 0.0030395 k( 18) = ( 0.1666667 -0.3451996 -0.2062570), wk = 0.0030395 k( 19) = ( 0.1764706 -0.3655055 -0.2183898), wk = 0.0030395 k( 20) = ( 0.1862745 -0.3858114 -0.2305225), wk = 0.0030395 k( 21) = ( 0.1960784 -0.4061172 -0.2426553), wk = 0.0030395 k( 22) = ( 0.2058823 -0.4264231 -0.2547881), wk = 0.0030395 k( 23) = ( 0.2156863 -0.4467289 -0.2669208), wk = 0.0030395 k( 24) = ( 0.2254902 -0.4670348 -0.2790536), wk = 0.0030395 k( 25) = ( 0.2352941 -0.4873407 -0.2911864), wk = 0.0030395 k( 26) = ( 0.2450980 -0.5076465 -0.3033191), wk = 0.0030395 k( 27) = ( 0.2549020 -0.5279524 -0.3154519), wk = 0.0030395 k( 28) = ( 0.2647059 -0.5482582 -0.3275846), wk = 0.0030395 k( 29) = ( 0.2745098 -0.5685641 -0.3397174), wk = 0.0030395 k( 30) = ( 0.2843137 -0.5888700 -0.3518502), wk = 0.0030395 k( 31) = ( 0.2941177 -0.6091758 -0.3639830), wk = 0.0030395 k( 32) = ( 0.3039216 -0.6294817 -0.3761157), wk = 0.0030395 k( 33) = ( 0.3137255 -0.6497875 -0.3882485), wk = 0.0030395 k( 34) = ( 0.3235294 -0.6700934 -0.4003812), wk = 0.0030395 k( 35) = ( 0.3333333 -0.6903993 -0.4125140), wk = 0.0030395 k( 36) = ( 0.3431373 -0.7107051 -0.4246468), wk = 0.0030395 k( 37) = ( 0.3529412 -0.7310110 -0.4367795), wk = 0.0030395 k( 38) = ( 0.3627451 -0.7513168 -0.4489123), wk = 0.0030395 k( 39) = ( 0.3725490 -0.7716227 -0.4610451), wk = 0.0030395 k( 40) = ( 0.3823529 -0.7919286 -0.4731778), wk = 0.0030395 k( 41) = ( 0.3921569 -0.8122344 -0.4853106), wk = 0.0030395 k( 42) = ( 0.4019608 -0.8325403 -0.4974434), wk = 0.0030395 k( 43) = ( 0.4117647 -0.8528462 -0.5095761), wk = 0.0030395 k( 44) = ( 0.4215686 -0.8731520 -0.5217089), wk = 0.0030395 k( 45) = ( 0.4313726 -0.8934579 -0.5338417), wk = 0.0030395 k( 46) = ( 0.4411765 -0.9137637 -0.5459744), wk = 0.0030395 k( 47) = ( 0.4509804 -0.9340696 -0.5581072), wk = 0.0030395 k( 48) = ( 0.4607843 -0.9543754 -0.5702399), wk = 0.0030395 k( 49) = ( 0.4705882 -0.9746813 -0.5823727), wk = 0.0030395 k( 50) = ( 0.4803922 -0.9949872 -0.5945055), wk = 0.0030395 k( 51) = ( 0.4901961 -1.0152930 -0.6066382), wk = 0.0030395 k( 52) = ( 0.5000000 -1.0355989 -0.6187710), wk = 0.0030395 k( 53) = ( 0.5000000 -1.0355989 -0.6187710), wk = 0.0030395 k( 54) = ( 0.5000000 -1.0227691 -0.6402434), wk = 0.0030395 k( 55) = ( 0.5000000 -1.0099394 -0.6617158), wk = 0.0030395 k( 56) = ( 0.5000000 -0.9971096 -0.6831882), wk = 0.0030395 k( 57) = ( 0.5000000 -0.9842798 -0.7046606), wk = 0.0030395 k( 58) = ( 0.5000000 -0.9714500 -0.7261330), wk = 0.0030395 k( 59) = ( 0.5000000 -0.9586203 -0.7476054), wk = 0.0030395 k( 60) = ( 0.5000000 -0.9457905 -0.7690778), wk = 0.0030395 k( 61) = ( 0.5000000 -0.9329607 -0.7905502), wk = 0.0030395 k( 62) = ( 0.5000000 -0.9201310 -0.8120226), wk = 0.0030395 k( 63) = ( 0.5000000 -0.9073012 -0.8334950), wk = 0.0030395 k( 64) = ( 0.5000000 -0.8944714 -0.8549674), wk = 0.0030395 k( 65) = ( 0.5000000 -0.8816416 -0.8764398), wk = 0.0030395 k( 66) = ( 0.5000000 -0.8688119 -0.8979122), wk = 0.0030395 k( 67) = ( 0.5000000 -0.8559821 -0.9193846), wk = 0.0030395 k( 68) = ( 0.5000000 -0.8431523 -0.9408569), wk = 0.0030395 k( 69) = ( 0.5000000 -0.8303226 -0.9623294), wk = 0.0030395 k( 70) = ( 0.5000000 -0.8174928 -0.9838017), wk = 0.0030395 k( 71) = ( 0.5000000 -0.8046630 -1.0052742), wk = 0.0030395 k( 72) = ( 0.5000000 -0.7918333 -1.0267465), wk = 0.0030395 k( 73) = ( 0.5000000 -0.7790035 -1.0482189), wk = 0.0030395 k( 74) = ( 0.5000000 -0.7661737 -1.0696913), wk = 0.0030395 k( 75) = ( 0.5000000 -0.7533440 -1.0911637), wk = 0.0030395 k( 76) = ( 0.5000000 -0.7405142 -1.1126361), wk = 0.0030395 k( 77) = ( 0.5000000 -0.7276844 -1.1341085), wk = 0.0030395 k( 78) = ( 0.5000000 -0.7148546 -1.1555809), wk = 0.0030395 k( 79) = ( 0.5000000 -0.7020249 -1.1770533), wk = 0.0030395 k( 80) = ( 0.5000000 -0.6891951 -1.1985257), wk = 0.0030395 k( 81) = ( 0.5000000 -0.6763653 -1.2199981), wk = 0.0030395 k( 82) = ( 0.5000000 -0.6635355 -1.2414705), wk = 0.0030395 k( 83) = ( 0.5000000 -0.6507058 -1.2629429), wk = 0.0030395 k( 84) = ( 0.5000000 -0.6378760 -1.2844153), wk = 0.0030395 k( 85) = ( 0.5000000 -0.6250462 -1.3058877), wk = 0.0030395 k( 86) = ( 0.8214965 -0.5514969 -1.1691964), wk = 0.0030395 k( 87) = ( 0.8158562 -0.5398147 -1.1474851), wk = 0.0030395 k( 88) = ( 0.8102159 -0.5281326 -1.1257738), wk = 0.0030395 k( 89) = ( 0.8045756 -0.5164504 -1.1040626), wk = 0.0030395 k( 90) = ( 0.7989353 -0.5047683 -1.0823513), wk = 0.0030395 k( 91) = ( 0.7932950 -0.4930861 -1.0606400), wk = 0.0030395 k( 92) = ( 0.7876547 -0.4814040 -1.0389288), wk = 0.0030395 k( 93) = ( 0.7820145 -0.4697218 -1.0172175), wk = 0.0030395 k( 94) = ( 0.7763742 -0.4580397 -0.9955062), wk = 0.0030395 k( 95) = ( 0.7707339 -0.4463575 -0.9737950), wk = 0.0030395 k( 96) = ( 0.7650936 -0.4346754 -0.9520837), wk = 0.0030395 k( 97) = ( 0.7594533 -0.4229932 -0.9303725), wk = 0.0030395 k( 98) = ( 0.7538130 -0.4113110 -0.9086612), wk = 0.0030395 k( 99) = ( 0.7481727 -0.3996289 -0.8869499), wk = 0.0030395 k( 100) = ( 0.7425324 -0.3879467 -0.8652387), wk = 0.0030395 k( 101) = ( 0.7368921 -0.3762646 -0.8435274), wk = 0.0030395 k( 102) = ( 0.7312519 -0.3645824 -0.8218161), wk = 0.0030395 k( 103) = ( 0.7256116 -0.3529003 -0.8001049), wk = 0.0030395 k( 104) = ( 0.7199713 -0.3412181 -0.7783936), wk = 0.0030395 k( 105) = ( 0.7143310 -0.3295360 -0.7566823), wk = 0.0030395 k( 106) = ( 0.7086907 -0.3178538 -0.7349711), wk = 0.0030395 k( 107) = ( 0.7030504 -0.3061716 -0.7132598), wk = 0.0030395 k( 108) = ( 0.6974101 -0.2944895 -0.6915485), wk = 0.0030395 k( 109) = ( 0.6917698 -0.2828073 -0.6698373), wk = 0.0030395 k( 110) = ( 0.6861295 -0.2711252 -0.6481261), wk = 0.0030395 k( 111) = ( 0.6804893 -0.2594430 -0.6264148), wk = 0.0030395 k( 112) = ( 0.6748490 -0.2477609 -0.6047035), wk = 0.0030395 k( 113) = ( 0.6692087 -0.2360787 -0.5829923), wk = 0.0030395 k( 114) = ( 0.6635684 -0.2243966 -0.5612810), wk = 0.0030395 k( 115) = ( 0.6579281 -0.2127144 -0.5395697), wk = 0.0030395 k( 116) = ( 0.6522878 -0.2010323 -0.5178585), wk = 0.0030395 k( 117) = ( 0.6466475 -0.1893501 -0.4961472), wk = 0.0030395 k( 118) = ( 0.6410072 -0.1776679 -0.4744359), wk = 0.0030395 k( 119) = ( 0.6353669 -0.1659858 -0.4527247), wk = 0.0030395 k( 120) = ( 0.6297267 -0.1543036 -0.4310134), wk = 0.0030395 k( 121) = ( 0.6240864 -0.1426215 -0.4093021), wk = 0.0030395 k( 122) = ( 0.6184461 -0.1309393 -0.3875909), wk = 0.0030395 k( 123) = ( 0.6128058 -0.1192572 -0.3658796), wk = 0.0030395 k( 124) = ( 0.6071655 -0.1075750 -0.3441684), wk = 0.0030395 k( 125) = ( 0.6015252 -0.0958929 -0.3224571), wk = 0.0030395 k( 126) = ( 0.5958849 -0.0842107 -0.3007458), wk = 0.0030395 k( 127) = ( 0.5902446 -0.0725286 -0.2790346), wk = 0.0030395 k( 128) = ( 0.5846043 -0.0608464 -0.2573233), wk = 0.0030395 k( 129) = ( 0.5789640 -0.0491642 -0.2356120), wk = 0.0030395 k( 130) = ( 0.5733238 -0.0374821 -0.2139008), wk = 0.0030395 k( 131) = ( 0.5676835 -0.0257999 -0.1921895), wk = 0.0030395 k( 132) = ( 0.5620432 -0.0141178 -0.1704782), wk = 0.0030395 k( 133) = ( 0.5564029 -0.0024356 -0.1487670), wk = 0.0030395 k( 134) = ( 0.5507626 0.0092465 -0.1270557), wk = 0.0030395 k( 135) = ( 0.5451223 0.0209287 -0.1053444), wk = 0.0030395 k( 136) = ( 0.5394820 0.0326108 -0.0836332), wk = 0.0030395 k( 137) = ( 0.5338417 0.0442930 -0.0619219), wk = 0.0030395 k( 138) = ( 0.5282014 0.0559751 -0.0402107), wk = 0.0030395 k( 139) = ( 0.5225612 0.0676573 -0.0184994), wk = 0.0030395 k( 140) = ( 0.5169209 0.0793395 0.0032119), wk = 0.0030395 k( 141) = ( 0.5112806 0.0910216 0.0249231), wk = 0.0030395 k( 142) = ( 0.5056403 0.1027038 0.0466344), wk = 0.0030395 k( 143) = ( 0.5000000 0.1143859 0.0683457), wk = 0.0030395 k( 144) = ( 0.5000000 0.1143859 0.0683457), wk = 0.0030395 k( 145) = ( 0.4761905 0.1089390 0.0650911), wk = 0.0030395 k( 146) = ( 0.4523810 0.1034920 0.0618365), wk = 0.0030395 k( 147) = ( 0.4285714 0.0980451 0.0585820), wk = 0.0030395 k( 148) = ( 0.4047619 0.0925981 0.0553274), wk = 0.0030395 k( 149) = ( 0.3809524 0.0871512 0.0520729), wk = 0.0030395 k( 150) = ( 0.3571429 0.0817042 0.0488183), wk = 0.0030395 k( 151) = ( 0.3333333 0.0762573 0.0455638), wk = 0.0030395 k( 152) = ( 0.3095238 0.0708103 0.0423092), wk = 0.0030395 k( 153) = ( 0.2857143 0.0653634 0.0390547), wk = 0.0030395 k( 154) = ( 0.2619048 0.0599164 0.0358001), wk = 0.0030395 k( 155) = ( 0.2380952 0.0544695 0.0325456), wk = 0.0030395 k( 156) = ( 0.2142857 0.0490225 0.0292910), wk = 0.0030395 k( 157) = ( 0.1904762 0.0435756 0.0260364), wk = 0.0030395 k( 158) = ( 0.1666667 0.0381286 0.0227819), wk = 0.0030395 k( 159) = ( 0.1428571 0.0326817 0.0195273), wk = 0.0030395 k( 160) = ( 0.1190476 0.0272347 0.0162728), wk = 0.0030395 k( 161) = ( 0.0952381 0.0217878 0.0130182), wk = 0.0030395 k( 162) = ( 0.0714286 0.0163408 0.0097637), wk = 0.0030395 k( 163) = ( 0.0476191 0.0108939 0.0065091), wk = 0.0030395 k( 164) = ( 0.0238095 0.0054469 0.0032546), wk = 0.0030395 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 167) = ( 0.0056542 -0.0117110 -0.0217648), wk = 0.0030395 k( 168) = ( 0.0113084 -0.0234219 -0.0435296), wk = 0.0030395 k( 169) = ( 0.0169626 -0.0351329 -0.0652944), wk = 0.0030395 k( 170) = ( 0.0226168 -0.0468438 -0.0870592), wk = 0.0030395 k( 171) = ( 0.0282710 -0.0585548 -0.1088240), wk = 0.0030395 k( 172) = ( 0.0339252 -0.0702658 -0.1305888), wk = 0.0030395 k( 173) = ( 0.0395794 -0.0819767 -0.1523536), wk = 0.0030395 k( 174) = ( 0.0452336 -0.0936877 -0.1741184), wk = 0.0030395 k( 175) = ( 0.0508878 -0.1053986 -0.1958831), wk = 0.0030395 k( 176) = ( 0.0565420 -0.1171096 -0.2176479), wk = 0.0030395 k( 177) = ( 0.0621962 -0.1288205 -0.2394128), wk = 0.0030395 k( 178) = ( 0.0678504 -0.1405315 -0.2611775), wk = 0.0030395 k( 179) = ( 0.0735046 -0.1522425 -0.2829423), wk = 0.0030395 k( 180) = ( 0.0791587 -0.1639534 -0.3047071), wk = 0.0030395 k( 181) = ( 0.0848129 -0.1756644 -0.3264719), wk = 0.0030395 k( 182) = ( 0.0904671 -0.1873753 -0.3482367), wk = 0.0030395 k( 183) = ( 0.0961213 -0.1990863 -0.3700015), wk = 0.0030395 k( 184) = ( 0.1017755 -0.2107973 -0.3917663), wk = 0.0030395 k( 185) = ( 0.1074297 -0.2225082 -0.4135311), wk = 0.0030395 k( 186) = ( 0.1130839 -0.2342192 -0.4352959), wk = 0.0030395 k( 187) = ( 0.1187381 -0.2459301 -0.4570607), wk = 0.0030395 k( 188) = ( 0.1243923 -0.2576411 -0.4788255), wk = 0.0030395 k( 189) = ( 0.1300465 -0.2693520 -0.5005903), wk = 0.0030395 k( 190) = ( 0.1357007 -0.2810630 -0.5223551), wk = 0.0030395 k( 191) = ( 0.1413549 -0.2927740 -0.5441199), wk = 0.0030395 k( 192) = ( 0.1470091 -0.3044849 -0.5658846), wk = 0.0030395 k( 193) = ( 0.1526633 -0.3161959 -0.5876495), wk = 0.0030395 k( 194) = ( 0.1583175 -0.3279068 -0.6094143), wk = 0.0030395 k( 195) = ( 0.1639717 -0.3396178 -0.6311790), wk = 0.0030395 k( 196) = ( 0.1696259 -0.3513287 -0.6529438), wk = 0.0030395 k( 197) = ( 0.1752801 -0.3630397 -0.6747086), wk = 0.0030395 k( 198) = ( 0.1809343 -0.3747507 -0.6964734), wk = 0.0030395 k( 199) = ( 0.1865885 -0.3864616 -0.7182382), wk = 0.0030395 k( 200) = ( 0.1922427 -0.3981726 -0.7400030), wk = 0.0030395 k( 201) = ( 0.1978969 -0.4098835 -0.7617678), wk = 0.0030395 k( 202) = ( 0.2035511 -0.4215945 -0.7835326), wk = 0.0030395 k( 203) = ( 0.2092053 -0.4333055 -0.8052974), wk = 0.0030395 k( 204) = ( 0.2148595 -0.4450164 -0.8270622), wk = 0.0030395 k( 205) = ( 0.2205136 -0.4567274 -0.8488270), wk = 0.0030395 k( 206) = ( 0.2261678 -0.4684383 -0.8705918), wk = 0.0030395 k( 207) = ( 0.2318220 -0.4801493 -0.8923566), wk = 0.0030395 k( 208) = ( 0.2374762 -0.4918602 -0.9141214), wk = 0.0030395 k( 209) = ( 0.2431304 -0.5035712 -0.9358862), wk = 0.0030395 k( 210) = ( 0.2487846 -0.5152822 -0.9576510), wk = 0.0030395 k( 211) = ( 0.2544388 -0.5269931 -0.9794158), wk = 0.0030395 k( 212) = ( 0.2600930 -0.5387041 -1.0011805), wk = 0.0030395 k( 213) = ( 0.2657472 -0.5504150 -1.0229454), wk = 0.0030395 k( 214) = ( 0.2714014 -0.5621260 -1.0447101), wk = 0.0030395 k( 215) = ( 0.2770556 -0.5738369 -1.0664749), wk = 0.0030395 k( 216) = ( 0.2827098 -0.5855479 -1.0882397), wk = 0.0030395 k( 217) = ( 0.2883640 -0.5972589 -1.1100045), wk = 0.0030395 k( 218) = ( 0.2940182 -0.6089698 -1.1317693), wk = 0.0030395 k( 219) = ( 0.2996724 -0.6206808 -1.1535341), wk = 0.0030395 k( 220) = ( 0.3053266 -0.6323917 -1.1752989), wk = 0.0030395 k( 221) = ( 0.3109808 -0.6441027 -1.1970637), wk = 0.0030395 k( 222) = ( 0.3166350 -0.6558136 -1.2188285), wk = 0.0030395 k( 223) = ( 0.3222892 -0.6675246 -1.2405933), wk = 0.0030395 k( 224) = ( 0.3279434 -0.6792356 -1.2623581), wk = 0.0030395 k( 225) = ( 0.3335976 -0.6909465 -1.2841229), wk = 0.0030395 k( 226) = ( 0.3392518 -0.7026575 -1.3058877), wk = 0.0030395 k( 227) = ( 0.6607482 -0.5882715 -1.2375420), wk = 0.0030395 k( 228) = ( 0.6552052 -0.5640420 -1.2375420), wk = 0.0030395 k( 229) = ( 0.6496622 -0.5398124 -1.2375420), wk = 0.0030395 k( 230) = ( 0.6441191 -0.5155829 -1.2375420), wk = 0.0030395 k( 231) = ( 0.6385761 -0.4913533 -1.2375420), wk = 0.0030395 k( 232) = ( 0.6330330 -0.4671237 -1.2375420), wk = 0.0030395 k( 233) = ( 0.6274900 -0.4428942 -1.2375420), wk = 0.0030395 k( 234) = ( 0.6219469 -0.4186646 -1.2375420), wk = 0.0030395 k( 235) = ( 0.6164039 -0.3944350 -1.2375420), wk = 0.0030395 k( 236) = ( 0.6108609 -0.3702055 -1.2375420), wk = 0.0030395 k( 237) = ( 0.6053178 -0.3459759 -1.2375420), wk = 0.0030395 k( 238) = ( 0.5997748 -0.3217463 -1.2375420), wk = 0.0030395 k( 239) = ( 0.5942317 -0.2975167 -1.2375420), wk = 0.0030395 k( 240) = ( 0.5886887 -0.2732872 -1.2375420), wk = 0.0030395 k( 241) = ( 0.5831456 -0.2490576 -1.2375420), wk = 0.0030395 k( 242) = ( 0.5776026 -0.2248280 -1.2375420), wk = 0.0030395 k( 243) = ( 0.5720596 -0.2005985 -1.2375420), wk = 0.0030395 k( 244) = ( 0.5665165 -0.1763689 -1.2375420), wk = 0.0030395 k( 245) = ( 0.5609735 -0.1521393 -1.2375420), wk = 0.0030395 k( 246) = ( 0.5554304 -0.1279098 -1.2375420), wk = 0.0030395 k( 247) = ( 0.5498874 -0.1036802 -1.2375420), wk = 0.0030395 k( 248) = ( 0.5443443 -0.0794506 -1.2375420), wk = 0.0030395 k( 249) = ( 0.5388013 -0.0552211 -1.2375420), wk = 0.0030395 k( 250) = ( 0.5332583 -0.0309915 -1.2375420), wk = 0.0030395 k( 251) = ( 0.5277152 -0.0067619 -1.2375420), wk = 0.0030395 k( 252) = ( 0.5221722 0.0174677 -1.2375420), wk = 0.0030395 k( 253) = ( 0.5166291 0.0416972 -1.2375420), wk = 0.0030395 k( 254) = ( 0.5110861 0.0659268 -1.2375420), wk = 0.0030395 k( 255) = ( 0.5055430 0.0901564 -1.2375420), wk = 0.0030395 k( 256) = ( 0.5000000 0.1143859 -1.2375420), wk = 0.0030395 k( 257) = ( 0.5000000 0.1143859 -1.2375420), wk = 0.0030395 k( 258) = ( 0.5229640 0.1196394 -1.2277783), wk = 0.0030395 k( 259) = ( 0.5459281 0.1248930 -1.2180147), wk = 0.0030395 k( 260) = ( 0.5688921 0.1301465 -1.2082510), wk = 0.0030395 k( 261) = ( 0.5918561 0.1354000 -1.1984873), wk = 0.0030395 k( 262) = ( 0.6148202 0.1406535 -1.1887237), wk = 0.0030395 k( 263) = ( 0.6377842 0.1459071 -1.1789600), wk = 0.0030395 k( 264) = ( 0.6607482 0.1511606 -1.1691964), wk = 0.0030395 k( 265) = ( 0.6607482 0.1511606 -1.1691964), wk = 0.0030395 k( 266) = ( 0.6574677 0.1504101 -1.1439404), wk = 0.0030395 k( 267) = ( 0.6541871 0.1496596 -1.1186844), wk = 0.0030395 k( 268) = ( 0.6509065 0.1489091 -1.0934285), wk = 0.0030395 k( 269) = ( 0.6476259 0.1481586 -1.0681725), wk = 0.0030395 k( 270) = ( 0.6443454 0.1474081 -1.0429165), wk = 0.0030395 k( 271) = ( 0.6410648 0.1466576 -1.0176606), wk = 0.0030395 k( 272) = ( 0.6377842 0.1459071 -0.9924046), wk = 0.0030395 k( 273) = ( 0.6345036 0.1451566 -0.9671487), wk = 0.0030395 k( 274) = ( 0.6312231 0.1444061 -0.9418927), wk = 0.0030395 k( 275) = ( 0.6279425 0.1436556 -0.9166368), wk = 0.0030395 k( 276) = ( 0.6246619 0.1429051 -0.8913808), wk = 0.0030395 k( 277) = ( 0.6213813 0.1421545 -0.8661248), wk = 0.0030395 k( 278) = ( 0.6181007 0.1414040 -0.8408689), wk = 0.0030395 k( 279) = ( 0.6148202 0.1406535 -0.8156129), wk = 0.0030395 k( 280) = ( 0.6115396 0.1399030 -0.7903570), wk = 0.0030395 k( 281) = ( 0.6082590 0.1391525 -0.7651010), wk = 0.0030395 k( 282) = ( 0.6049784 0.1384020 -0.7398451), wk = 0.0030395 k( 283) = ( 0.6016979 0.1376515 -0.7145891), wk = 0.0030395 k( 284) = ( 0.5984173 0.1369010 -0.6893331), wk = 0.0030395 k( 285) = ( 0.5951367 0.1361505 -0.6640772), wk = 0.0030395 k( 286) = ( 0.5918561 0.1354000 -0.6388212), wk = 0.0030395 k( 287) = ( 0.5885756 0.1346495 -0.6135653), wk = 0.0030395 k( 288) = ( 0.5852950 0.1338990 -0.5883093), wk = 0.0030395 k( 289) = ( 0.5820144 0.1331485 -0.5630533), wk = 0.0030395 k( 290) = ( 0.5787338 0.1323980 -0.5377974), wk = 0.0030395 k( 291) = ( 0.5754533 0.1316475 -0.5125414), wk = 0.0030395 k( 292) = ( 0.5721727 0.1308970 -0.4872854), wk = 0.0030395 k( 293) = ( 0.5688921 0.1301465 -0.4620295), wk = 0.0030395 k( 294) = ( 0.5656115 0.1293960 -0.4367735), wk = 0.0030395 k( 295) = ( 0.5623309 0.1286455 -0.4115176), wk = 0.0030395 k( 296) = ( 0.5590504 0.1278950 -0.3862616), wk = 0.0030395 k( 297) = ( 0.5557698 0.1271445 -0.3610057), wk = 0.0030395 k( 298) = ( 0.5524892 0.1263940 -0.3357497), wk = 0.0030395 k( 299) = ( 0.5492086 0.1256435 -0.3104937), wk = 0.0030395 k( 300) = ( 0.5459281 0.1248930 -0.2852378), wk = 0.0030395 k( 301) = ( 0.5426475 0.1241425 -0.2599818), wk = 0.0030395 k( 302) = ( 0.5393669 0.1233920 -0.2347259), wk = 0.0030395 k( 303) = ( 0.5360863 0.1226415 -0.2094699), wk = 0.0030395 k( 304) = ( 0.5328058 0.1218910 -0.1842139), wk = 0.0030395 k( 305) = ( 0.5295252 0.1211405 -0.1589580), wk = 0.0030395 k( 306) = ( 0.5262446 0.1203899 -0.1337020), wk = 0.0030395 k( 307) = ( 0.5229640 0.1196394 -0.1084460), wk = 0.0030395 k( 308) = ( 0.5196835 0.1188889 -0.0831901), wk = 0.0030395 k( 309) = ( 0.5164029 0.1181384 -0.0579341), wk = 0.0030395 k( 310) = ( 0.5131223 0.1173879 -0.0326782), wk = 0.0030395 k( 311) = ( 0.5098417 0.1166374 -0.0074222), wk = 0.0030395 k( 312) = ( 0.5065612 0.1158869 0.0178337), wk = 0.0030395 k( 313) = ( 0.5032806 0.1151364 0.0430897), wk = 0.0030395 k( 314) = ( 0.5000000 0.1143859 0.0683457), wk = 0.0030395 k( 315) = ( 0.5000000 -1.0355989 -0.6187710), wk = 0.0030395 k( 316) = ( 0.5229640 -1.0274285 -0.6138892), wk = 0.0030395 k( 317) = ( 0.5459281 -1.0192580 -0.6090073), wk = 0.0030395 k( 318) = ( 0.5688921 -1.0110876 -0.6041255), wk = 0.0030395 k( 319) = ( 0.5918561 -1.0029172 -0.5992437), wk = 0.0030395 k( 320) = ( 0.6148202 -0.9947468 -0.5943618), wk = 0.0030395 k( 321) = ( 0.6377842 -0.9865764 -0.5894800), wk = 0.0030395 k( 322) = ( 0.6607482 -0.9784059 -0.5845982), wk = 0.0030395 k( 323) = ( 0.6837123 -0.9702355 -0.5797163), wk = 0.0030395 k( 324) = ( 0.7066763 -0.9620651 -0.5748345), wk = 0.0030395 k( 325) = ( 0.7296404 -0.9538947 -0.5699527), wk = 0.0030395 k( 326) = ( 0.7526044 -0.9457242 -0.5650708), wk = 0.0030395 k( 327) = ( 0.7755684 -0.9375538 -0.5601890), wk = 0.0030395 k( 328) = ( 0.7985324 -0.9293834 -0.5553072), wk = 0.0030395 k( 329) = ( 0.8214965 -0.9212130 -0.5504253), wk = 0.0030395 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0030395 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0030395 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0030395 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0030395 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0030395 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0030395 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0030395 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0030395 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0030395 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0030395 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0030395 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0030395 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0030395 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0030395 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0030395 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0030395 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030395 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0030395 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0030395 k( 21) = ( 0.1960784 -0.0000000 0.0000000), wk = 0.0030395 k( 22) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0030395 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0030395 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0030395 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0030395 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0030395 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0030395 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0030395 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0030395 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0030395 k( 31) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0030395 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0030395 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0030395 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0030395 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030395 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0030395 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0030395 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0030395 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0030395 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0030395 k( 41) = ( 0.3921569 -0.0000000 0.0000000), wk = 0.0030395 k( 42) = ( 0.4019608 -0.0000000 0.0000000), wk = 0.0030395 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0030395 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0030395 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0030395 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0030395 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0030395 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0030395 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0030395 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0030395 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0030395 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030395 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030395 k( 54) = ( 0.5000000 0.0055782 -0.0055782), wk = 0.0030395 k( 55) = ( 0.5000000 0.0111565 -0.0111565), wk = 0.0030395 k( 56) = ( 0.5000000 0.0167347 -0.0167347), wk = 0.0030395 k( 57) = ( 0.5000000 0.0223129 -0.0223129), wk = 0.0030395 k( 58) = ( 0.5000000 0.0278912 -0.0278912), wk = 0.0030395 k( 59) = ( 0.5000000 0.0334694 -0.0334694), wk = 0.0030395 k( 60) = ( 0.5000000 0.0390476 -0.0390476), wk = 0.0030395 k( 61) = ( 0.5000000 0.0446259 -0.0446259), wk = 0.0030395 k( 62) = ( 0.5000000 0.0502041 -0.0502041), wk = 0.0030395 k( 63) = ( 0.5000000 0.0557824 -0.0557823), wk = 0.0030395 k( 64) = ( 0.5000000 0.0613606 -0.0613606), wk = 0.0030395 k( 65) = ( 0.5000000 0.0669388 -0.0669388), wk = 0.0030395 k( 66) = ( 0.5000000 0.0725171 -0.0725170), wk = 0.0030395 k( 67) = ( 0.5000000 0.0780953 -0.0780953), wk = 0.0030395 k( 68) = ( 0.5000000 0.0836735 -0.0836735), wk = 0.0030395 k( 69) = ( 0.5000000 0.0892518 -0.0892518), wk = 0.0030395 k( 70) = ( 0.5000000 0.0948300 -0.0948300), wk = 0.0030395 k( 71) = ( 0.5000000 0.1004082 -0.1004082), wk = 0.0030395 k( 72) = ( 0.5000000 0.1059865 -0.1059865), wk = 0.0030395 k( 73) = ( 0.5000000 0.1115647 -0.1115647), wk = 0.0030395 k( 74) = ( 0.5000000 0.1171429 -0.1171429), wk = 0.0030395 k( 75) = ( 0.5000000 0.1227212 -0.1227212), wk = 0.0030395 k( 76) = ( 0.5000000 0.1282994 -0.1282994), wk = 0.0030395 k( 77) = ( 0.5000000 0.1338776 -0.1338776), wk = 0.0030395 k( 78) = ( 0.5000000 0.1394559 -0.1394559), wk = 0.0030395 k( 79) = ( 0.5000000 0.1450341 -0.1450341), wk = 0.0030395 k( 80) = ( 0.5000000 0.1506123 -0.1506123), wk = 0.0030395 k( 81) = ( 0.5000000 0.1561906 -0.1561906), wk = 0.0030395 k( 82) = ( 0.5000000 0.1617688 -0.1617688), wk = 0.0030395 k( 83) = ( 0.5000000 0.1673470 -0.1673470), wk = 0.0030395 k( 84) = ( 0.5000000 0.1729253 -0.1729253), wk = 0.0030395 k( 85) = ( 0.5000000 0.1785035 -0.1785035), wk = 0.0030395 k( 86) = ( 0.8214965 0.5000000 0.1785035), wk = 0.0030395 k( 87) = ( 0.8158562 0.5000000 0.1841438), wk = 0.0030395 k( 88) = ( 0.8102159 0.5000000 0.1897841), wk = 0.0030395 k( 89) = ( 0.8045756 0.5000000 0.1954244), wk = 0.0030395 k( 90) = ( 0.7989353 0.5000000 0.2010647), wk = 0.0030395 k( 91) = ( 0.7932950 0.5000000 0.2067050), wk = 0.0030395 k( 92) = ( 0.7876547 0.5000000 0.2123453), wk = 0.0030395 k( 93) = ( 0.7820145 0.5000000 0.2179855), wk = 0.0030395 k( 94) = ( 0.7763742 0.5000000 0.2236258), wk = 0.0030395 k( 95) = ( 0.7707339 0.5000000 0.2292661), wk = 0.0030395 k( 96) = ( 0.7650936 0.5000000 0.2349064), wk = 0.0030395 k( 97) = ( 0.7594533 0.5000000 0.2405467), wk = 0.0030395 k( 98) = ( 0.7538130 0.5000000 0.2461870), wk = 0.0030395 k( 99) = ( 0.7481727 0.5000000 0.2518273), wk = 0.0030395 k( 100) = ( 0.7425324 0.5000000 0.2574676), wk = 0.0030395 k( 101) = ( 0.7368921 0.5000000 0.2631079), wk = 0.0030395 k( 102) = ( 0.7312519 0.5000000 0.2687481), wk = 0.0030395 k( 103) = ( 0.7256116 0.5000000 0.2743884), wk = 0.0030395 k( 104) = ( 0.7199713 0.5000000 0.2800287), wk = 0.0030395 k( 105) = ( 0.7143310 0.5000000 0.2856690), wk = 0.0030395 k( 106) = ( 0.7086907 0.5000000 0.2913093), wk = 0.0030395 k( 107) = ( 0.7030504 0.5000000 0.2969496), wk = 0.0030395 k( 108) = ( 0.6974101 0.5000000 0.3025899), wk = 0.0030395 k( 109) = ( 0.6917698 0.5000000 0.3082302), wk = 0.0030395 k( 110) = ( 0.6861295 0.5000000 0.3138705), wk = 0.0030395 k( 111) = ( 0.6804893 0.5000000 0.3195107), wk = 0.0030395 k( 112) = ( 0.6748490 0.5000000 0.3251510), wk = 0.0030395 k( 113) = ( 0.6692087 0.5000000 0.3307913), wk = 0.0030395 k( 114) = ( 0.6635684 0.5000000 0.3364316), wk = 0.0030395 k( 115) = ( 0.6579281 0.5000000 0.3420719), wk = 0.0030395 k( 116) = ( 0.6522878 0.5000000 0.3477122), wk = 0.0030395 k( 117) = ( 0.6466475 0.5000000 0.3533525), wk = 0.0030395 k( 118) = ( 0.6410072 0.5000000 0.3589928), wk = 0.0030395 k( 119) = ( 0.6353669 0.5000000 0.3646331), wk = 0.0030395 k( 120) = ( 0.6297267 0.5000000 0.3702734), wk = 0.0030395 k( 121) = ( 0.6240864 0.5000000 0.3759136), wk = 0.0030395 k( 122) = ( 0.6184461 0.5000000 0.3815539), wk = 0.0030395 k( 123) = ( 0.6128058 0.5000000 0.3871942), wk = 0.0030395 k( 124) = ( 0.6071655 0.5000000 0.3928345), wk = 0.0030395 k( 125) = ( 0.6015252 0.5000000 0.3984748), wk = 0.0030395 k( 126) = ( 0.5958849 0.5000000 0.4041151), wk = 0.0030395 k( 127) = ( 0.5902446 0.5000000 0.4097554), wk = 0.0030395 k( 128) = ( 0.5846043 0.5000000 0.4153957), wk = 0.0030395 k( 129) = ( 0.5789640 0.5000000 0.4210360), wk = 0.0030395 k( 130) = ( 0.5733238 0.5000000 0.4266762), wk = 0.0030395 k( 131) = ( 0.5676835 0.5000000 0.4323165), wk = 0.0030395 k( 132) = ( 0.5620432 0.5000000 0.4379568), wk = 0.0030395 k( 133) = ( 0.5564029 0.5000000 0.4435971), wk = 0.0030395 k( 134) = ( 0.5507626 0.5000000 0.4492374), wk = 0.0030395 k( 135) = ( 0.5451223 0.5000000 0.4548777), wk = 0.0030395 k( 136) = ( 0.5394820 0.5000000 0.4605180), wk = 0.0030395 k( 137) = ( 0.5338417 0.5000000 0.4661583), wk = 0.0030395 k( 138) = ( 0.5282014 0.5000000 0.4717986), wk = 0.0030395 k( 139) = ( 0.5225612 0.5000000 0.4774388), wk = 0.0030395 k( 140) = ( 0.5169209 0.5000000 0.4830791), wk = 0.0030395 k( 141) = ( 0.5112806 0.5000000 0.4887194), wk = 0.0030395 k( 142) = ( 0.5056403 0.5000000 0.4943597), wk = 0.0030395 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 145) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0030395 k( 146) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0030395 k( 147) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030395 k( 148) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0030395 k( 149) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0030395 k( 150) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030395 k( 151) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030395 k( 152) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0030395 k( 153) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030395 k( 154) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0030395 k( 155) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0030395 k( 156) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030395 k( 157) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0030395 k( 158) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030395 k( 159) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030395 k( 160) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0030395 k( 161) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0030395 k( 162) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030395 k( 163) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0030395 k( 164) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0030395 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 167) = ( 0.0056542 0.0000000 -0.0056542), wk = 0.0030395 k( 168) = ( 0.0113084 0.0000000 -0.0113084), wk = 0.0030395 k( 169) = ( 0.0169626 0.0000000 -0.0169626), wk = 0.0030395 k( 170) = ( 0.0226168 0.0000000 -0.0226168), wk = 0.0030395 k( 171) = ( 0.0282710 0.0000000 -0.0282710), wk = 0.0030395 k( 172) = ( 0.0339252 0.0000000 -0.0339252), wk = 0.0030395 k( 173) = ( 0.0395794 0.0000000 -0.0395794), wk = 0.0030395 k( 174) = ( 0.0452336 0.0000000 -0.0452336), wk = 0.0030395 k( 175) = ( 0.0508878 0.0000000 -0.0508878), wk = 0.0030395 k( 176) = ( 0.0565420 0.0000000 -0.0565420), wk = 0.0030395 k( 177) = ( 0.0621962 0.0000000 -0.0621962), wk = 0.0030395 k( 178) = ( 0.0678504 0.0000000 -0.0678503), wk = 0.0030395 k( 179) = ( 0.0735046 0.0000000 -0.0735045), wk = 0.0030395 k( 180) = ( 0.0791587 0.0000000 -0.0791587), wk = 0.0030395 k( 181) = ( 0.0848129 0.0000000 -0.0848129), wk = 0.0030395 k( 182) = ( 0.0904671 0.0000000 -0.0904671), wk = 0.0030395 k( 183) = ( 0.0961213 0.0000000 -0.0961213), wk = 0.0030395 k( 184) = ( 0.1017755 0.0000000 -0.1017755), wk = 0.0030395 k( 185) = ( 0.1074297 0.0000000 -0.1074297), wk = 0.0030395 k( 186) = ( 0.1130839 0.0000000 -0.1130839), wk = 0.0030395 k( 187) = ( 0.1187381 0.0000000 -0.1187381), wk = 0.0030395 k( 188) = ( 0.1243923 0.0000000 -0.1243923), wk = 0.0030395 k( 189) = ( 0.1300465 0.0000000 -0.1300465), wk = 0.0030395 k( 190) = ( 0.1357007 0.0000000 -0.1357007), wk = 0.0030395 k( 191) = ( 0.1413549 0.0000000 -0.1413549), wk = 0.0030395 k( 192) = ( 0.1470091 0.0000000 -0.1470091), wk = 0.0030395 k( 193) = ( 0.1526633 0.0000000 -0.1526633), wk = 0.0030395 k( 194) = ( 0.1583175 -0.0000000 -0.1583175), wk = 0.0030395 k( 195) = ( 0.1639717 0.0000000 -0.1639717), wk = 0.0030395 k( 196) = ( 0.1696259 0.0000000 -0.1696259), wk = 0.0030395 k( 197) = ( 0.1752801 0.0000000 -0.1752801), wk = 0.0030395 k( 198) = ( 0.1809343 0.0000000 -0.1809343), wk = 0.0030395 k( 199) = ( 0.1865885 0.0000000 -0.1865885), wk = 0.0030395 k( 200) = ( 0.1922427 0.0000000 -0.1922427), wk = 0.0030395 k( 201) = ( 0.1978969 0.0000000 -0.1978969), wk = 0.0030395 k( 202) = ( 0.2035511 0.0000000 -0.2035511), wk = 0.0030395 k( 203) = ( 0.2092053 0.0000000 -0.2092052), wk = 0.0030395 k( 204) = ( 0.2148595 0.0000000 -0.2148594), wk = 0.0030395 k( 205) = ( 0.2205136 0.0000000 -0.2205136), wk = 0.0030395 k( 206) = ( 0.2261678 0.0000000 -0.2261678), wk = 0.0030395 k( 207) = ( 0.2318220 0.0000000 -0.2318220), wk = 0.0030395 k( 208) = ( 0.2374762 0.0000000 -0.2374762), wk = 0.0030395 k( 209) = ( 0.2431304 0.0000000 -0.2431304), wk = 0.0030395 k( 210) = ( 0.2487846 0.0000000 -0.2487846), wk = 0.0030395 k( 211) = ( 0.2544388 0.0000000 -0.2544388), wk = 0.0030395 k( 212) = ( 0.2600930 0.0000000 -0.2600930), wk = 0.0030395 k( 213) = ( 0.2657472 0.0000000 -0.2657472), wk = 0.0030395 k( 214) = ( 0.2714014 0.0000000 -0.2714014), wk = 0.0030395 k( 215) = ( 0.2770556 0.0000000 -0.2770556), wk = 0.0030395 k( 216) = ( 0.2827098 0.0000000 -0.2827098), wk = 0.0030395 k( 217) = ( 0.2883640 0.0000000 -0.2883640), wk = 0.0030395 k( 218) = ( 0.2940182 0.0000000 -0.2940182), wk = 0.0030395 k( 219) = ( 0.2996724 0.0000000 -0.2996724), wk = 0.0030395 k( 220) = ( 0.3053266 0.0000000 -0.3053266), wk = 0.0030395 k( 221) = ( 0.3109808 0.0000000 -0.3109808), wk = 0.0030395 k( 222) = ( 0.3166350 0.0000000 -0.3166350), wk = 0.0030395 k( 223) = ( 0.3222892 0.0000000 -0.3222892), wk = 0.0030395 k( 224) = ( 0.3279434 0.0000000 -0.3279434), wk = 0.0030395 k( 225) = ( 0.3335976 0.0000000 -0.3335976), wk = 0.0030395 k( 226) = ( 0.3392518 0.0000000 -0.3392518), wk = 0.0030395 k( 227) = ( 0.6607482 0.3392518 0.0000000), wk = 0.0030395 k( 228) = ( 0.6552052 0.3447948 0.0000000), wk = 0.0030395 k( 229) = ( 0.6496622 0.3503378 0.0000000), wk = 0.0030395 k( 230) = ( 0.6441191 0.3558809 0.0000000), wk = 0.0030395 k( 231) = ( 0.6385761 0.3614239 0.0000000), wk = 0.0030395 k( 232) = ( 0.6330330 0.3669670 0.0000000), wk = 0.0030395 k( 233) = ( 0.6274900 0.3725100 0.0000000), wk = 0.0030395 k( 234) = ( 0.6219469 0.3780531 0.0000000), wk = 0.0030395 k( 235) = ( 0.6164039 0.3835961 0.0000000), wk = 0.0030395 k( 236) = ( 0.6108609 0.3891391 0.0000000), wk = 0.0030395 k( 237) = ( 0.6053178 0.3946822 0.0000000), wk = 0.0030395 k( 238) = ( 0.5997748 0.4002252 0.0000000), wk = 0.0030395 k( 239) = ( 0.5942317 0.4057683 0.0000000), wk = 0.0030395 k( 240) = ( 0.5886887 0.4113113 0.0000000), wk = 0.0030395 k( 241) = ( 0.5831456 0.4168544 0.0000000), wk = 0.0030395 k( 242) = ( 0.5776026 0.4223974 0.0000000), wk = 0.0030395 k( 243) = ( 0.5720596 0.4279404 0.0000000), wk = 0.0030395 k( 244) = ( 0.5665165 0.4334835 0.0000000), wk = 0.0030395 k( 245) = ( 0.5609735 0.4390265 0.0000000), wk = 0.0030395 k( 246) = ( 0.5554304 0.4445696 0.0000000), wk = 0.0030395 k( 247) = ( 0.5498874 0.4501126 -0.0000000), wk = 0.0030395 k( 248) = ( 0.5443443 0.4556557 0.0000000), wk = 0.0030395 k( 249) = ( 0.5388013 0.4611987 0.0000000), wk = 0.0030395 k( 250) = ( 0.5332583 0.4667417 -0.0000000), wk = 0.0030395 k( 251) = ( 0.5277152 0.4722848 0.0000000), wk = 0.0030395 k( 252) = ( 0.5221722 0.4778278 0.0000000), wk = 0.0030395 k( 253) = ( 0.5166291 0.4833709 -0.0000000), wk = 0.0030395 k( 254) = ( 0.5110861 0.4889139 0.0000000), wk = 0.0030395 k( 255) = ( 0.5055430 0.4944570 0.0000000), wk = 0.0030395 k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030395 k( 257) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030395 k( 258) = ( 0.5229640 0.5229640 0.0255005), wk = 0.0030395 k( 259) = ( 0.5459281 0.5459281 0.0510010), wk = 0.0030395 k( 260) = ( 0.5688921 0.5688921 0.0765015), wk = 0.0030395 k( 261) = ( 0.5918561 0.5918561 0.1020020), wk = 0.0030395 k( 262) = ( 0.6148202 0.6148202 0.1275025), wk = 0.0030395 k( 263) = ( 0.6377842 0.6377842 0.1530030), wk = 0.0030395 k( 264) = ( 0.6607482 0.6607482 0.1785035), wk = 0.0030395 k( 265) = ( 0.6607482 0.6607482 0.1785035), wk = 0.0030395 k( 266) = ( 0.6574677 0.6574677 0.1850647), wk = 0.0030395 k( 267) = ( 0.6541871 0.6541871 0.1916258), wk = 0.0030395 k( 268) = ( 0.6509065 0.6509065 0.1981870), wk = 0.0030395 k( 269) = ( 0.6476259 0.6476259 0.2047481), wk = 0.0030395 k( 270) = ( 0.6443454 0.6443454 0.2113093), wk = 0.0030395 k( 271) = ( 0.6410648 0.6410648 0.2178704), wk = 0.0030395 k( 272) = ( 0.6377842 0.6377842 0.2244316), wk = 0.0030395 k( 273) = ( 0.6345036 0.6345036 0.2309927), wk = 0.0030395 k( 274) = ( 0.6312231 0.6312231 0.2375539), wk = 0.0030395 k( 275) = ( 0.6279425 0.6279425 0.2441150), wk = 0.0030395 k( 276) = ( 0.6246619 0.6246619 0.2506762), wk = 0.0030395 k( 277) = ( 0.6213813 0.6213813 0.2572374), wk = 0.0030395 k( 278) = ( 0.6181007 0.6181008 0.2637985), wk = 0.0030395 k( 279) = ( 0.6148202 0.6148202 0.2703597), wk = 0.0030395 k( 280) = ( 0.6115396 0.6115396 0.2769208), wk = 0.0030395 k( 281) = ( 0.6082590 0.6082590 0.2834820), wk = 0.0030395 k( 282) = ( 0.6049784 0.6049785 0.2900431), wk = 0.0030395 k( 283) = ( 0.6016979 0.6016979 0.2966043), wk = 0.0030395 k( 284) = ( 0.5984173 0.5984173 0.3031654), wk = 0.0030395 k( 285) = ( 0.5951367 0.5951367 0.3097266), wk = 0.0030395 k( 286) = ( 0.5918561 0.5918561 0.3162877), wk = 0.0030395 k( 287) = ( 0.5885756 0.5885756 0.3228489), wk = 0.0030395 k( 288) = ( 0.5852950 0.5852950 0.3294100), wk = 0.0030395 k( 289) = ( 0.5820144 0.5820144 0.3359712), wk = 0.0030395 k( 290) = ( 0.5787338 0.5787338 0.3425323), wk = 0.0030395 k( 291) = ( 0.5754533 0.5754533 0.3490935), wk = 0.0030395 k( 292) = ( 0.5721727 0.5721727 0.3556546), wk = 0.0030395 k( 293) = ( 0.5688921 0.5688921 0.3622158), wk = 0.0030395 k( 294) = ( 0.5656115 0.5656115 0.3687769), wk = 0.0030395 k( 295) = ( 0.5623309 0.5623310 0.3753381), wk = 0.0030395 k( 296) = ( 0.5590504 0.5590504 0.3818993), wk = 0.0030395 k( 297) = ( 0.5557698 0.5557698 0.3884604), wk = 0.0030395 k( 298) = ( 0.5524892 0.5524892 0.3950216), wk = 0.0030395 k( 299) = ( 0.5492086 0.5492087 0.4015827), wk = 0.0030395 k( 300) = ( 0.5459281 0.5459281 0.4081439), wk = 0.0030395 k( 301) = ( 0.5426475 0.5426475 0.4147050), wk = 0.0030395 k( 302) = ( 0.5393669 0.5393669 0.4212662), wk = 0.0030395 k( 303) = ( 0.5360863 0.5360863 0.4278273), wk = 0.0030395 k( 304) = ( 0.5328058 0.5328058 0.4343885), wk = 0.0030395 k( 305) = ( 0.5295252 0.5295252 0.4409496), wk = 0.0030395 k( 306) = ( 0.5262446 0.5262446 0.4475108), wk = 0.0030395 k( 307) = ( 0.5229640 0.5229640 0.4540719), wk = 0.0030395 k( 308) = ( 0.5196835 0.5196835 0.4606331), wk = 0.0030395 k( 309) = ( 0.5164029 0.5164029 0.4671942), wk = 0.0030395 k( 310) = ( 0.5131223 0.5131223 0.4737554), wk = 0.0030395 k( 311) = ( 0.5098417 0.5098417 0.4803165), wk = 0.0030395 k( 312) = ( 0.5065612 0.5065612 0.4868777), wk = 0.0030395 k( 313) = ( 0.5032806 0.5032806 0.4934388), wk = 0.0030395 k( 314) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 315) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030395 k( 316) = ( 0.5229640 0.0242323 0.0242323), wk = 0.0030395 k( 317) = ( 0.5459281 0.0484645 0.0484645), wk = 0.0030395 k( 318) = ( 0.5688921 0.0726968 0.0726968), wk = 0.0030395 k( 319) = ( 0.5918561 0.0969291 0.0969291), wk = 0.0030395 k( 320) = ( 0.6148202 0.1211613 0.1211613), wk = 0.0030395 k( 321) = ( 0.6377842 0.1453936 0.1453936), wk = 0.0030395 k( 322) = ( 0.6607482 0.1696259 0.1696259), wk = 0.0030395 k( 323) = ( 0.6837123 0.1938582 0.1938582), wk = 0.0030395 k( 324) = ( 0.7066763 0.2180904 0.2180904), wk = 0.0030395 k( 325) = ( 0.7296404 0.2423227 0.2423227), wk = 0.0030395 k( 326) = ( 0.7526044 0.2665550 0.2665550), wk = 0.0030395 k( 327) = ( 0.7755684 0.2907872 0.2907872), wk = 0.0030395 k( 328) = ( 0.7985324 0.3150195 0.3150195), wk = 0.0030395 k( 329) = ( 0.8214965 0.3392518 0.3392518), wk = 0.0030395 Dense grid: 37297 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 23385 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 178, 46) NL pseudopotentials 0.18 Mb ( 89, 136) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1035) G-vector shells 0.01 Mb ( 885) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 178, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./GaS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.7 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.8 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.4 secs Computing kpt #: 33 total cpu time spent up to now is 19.9 secs Computing kpt #: 34 total cpu time spent up to now is 20.5 secs Computing kpt #: 35 total cpu time spent up to now is 21.0 secs Computing kpt #: 36 total cpu time spent up to now is 21.5 secs Computing kpt #: 37 total cpu time spent up to now is 22.0 secs Computing kpt #: 38 total cpu time spent up to now is 22.7 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.3 secs Computing kpt #: 42 total cpu time spent up to now is 24.8 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.6 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.7 secs Computing kpt #: 52 total cpu time spent up to now is 30.2 secs Computing kpt #: 53 total cpu time spent up to now is 30.8 secs Computing kpt #: 54 total cpu time spent up to now is 31.3 secs Computing kpt #: 55 total cpu time spent up to now is 31.8 secs Computing kpt #: 56 total cpu time spent up to now is 32.4 secs Computing kpt #: 57 total cpu time spent up to now is 32.9 secs Computing kpt #: 58 total cpu time spent up to now is 33.4 secs Computing kpt #: 59 total cpu time spent up to now is 33.9 secs Computing kpt #: 60 total cpu time spent up to now is 34.4 secs Computing kpt #: 61 total cpu time spent up to now is 34.9 secs Computing kpt #: 62 total cpu time spent up to now is 35.4 secs Computing kpt #: 63 total cpu time spent up to now is 35.9 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 36.9 secs Computing kpt #: 66 total cpu time spent up to now is 37.4 secs Computing kpt #: 67 total cpu time spent up to now is 37.9 secs Computing kpt #: 68 total cpu time spent up to now is 38.4 secs Computing kpt #: 69 total cpu time spent up to now is 38.9 secs Computing kpt #: 70 total cpu time spent up to now is 39.4 secs Computing kpt #: 71 total cpu time spent up to now is 40.0 secs Computing kpt #: 72 total cpu time spent up to now is 40.5 secs Computing kpt #: 73 total cpu time spent up to now is 41.0 secs Computing kpt #: 74 total cpu time spent up to now is 41.5 secs Computing kpt #: 75 total cpu time spent up to now is 42.0 secs Computing kpt #: 76 total cpu time spent up to now is 42.5 secs Computing kpt #: 77 total cpu time spent up to now is 43.1 secs Computing kpt #: 78 total cpu time spent up to now is 43.7 secs Computing kpt #: 79 total cpu time spent up to now is 44.4 secs Computing kpt #: 80 total cpu time spent up to now is 45.1 secs Computing kpt #: 81 total cpu time spent up to now is 45.8 secs Computing kpt #: 82 total cpu time spent up to now is 46.5 secs Computing kpt #: 83 total cpu time spent up to now is 47.2 secs Computing kpt #: 84 total cpu time spent up to now is 47.8 secs Computing kpt #: 85 total cpu time spent up to now is 48.5 secs Computing kpt #: 86 total cpu time spent up to now is 49.1 secs Computing kpt #: 87 total cpu time spent up to now is 49.8 secs Computing kpt #: 88 total cpu time spent up to now is 50.3 secs Computing kpt #: 89 total cpu time spent up to now is 50.8 secs Computing kpt #: 90 total cpu time spent up to now is 51.3 secs Computing kpt #: 91 total cpu time spent up to now is 51.8 secs Computing kpt #: 92 total cpu time spent up to now is 52.4 secs Computing kpt #: 93 total cpu time spent up to now is 52.9 secs Computing kpt #: 94 total cpu time spent up to now is 53.4 secs Computing kpt #: 95 total cpu time spent up to now is 53.9 secs Computing kpt #: 96 total cpu time spent up to now is 54.4 secs Computing kpt #: 97 total cpu time spent up to now is 54.9 secs Computing kpt #: 98 total cpu time spent up to now is 55.4 secs Computing kpt #: 99 total cpu time spent up to now is 56.0 secs Computing kpt #: 100 total cpu time spent up to now is 56.5 secs Computing kpt #: 101 total cpu time spent up to now is 57.0 secs Computing kpt #: 102 total cpu time spent up to now is 57.5 secs Computing kpt #: 103 total cpu time spent up to now is 58.1 secs Computing kpt #: 104 total cpu time spent up to now is 58.6 secs Computing kpt #: 105 total cpu time spent up to now is 59.1 secs Computing kpt #: 106 total cpu time spent up to now is 59.7 secs Computing kpt #: 107 total cpu time spent up to now is 60.3 secs Computing kpt #: 108 total cpu time spent up to now is 60.9 secs Computing kpt #: 109 total cpu time spent up to now is 61.6 secs Computing kpt #: 110 total cpu time spent up to now is 62.3 secs Computing kpt #: 111 total cpu time spent up to now is 62.9 secs Computing kpt #: 112 total cpu time spent up to now is 63.6 secs Computing kpt #: 113 total cpu time spent up to now is 64.3 secs Computing kpt #: 114 total cpu time spent up to now is 65.0 secs Computing kpt #: 115 total cpu time spent up to now is 65.5 secs Computing kpt #: 116 total cpu time spent up to now is 66.1 secs Computing kpt #: 117 total cpu time spent up to now is 66.7 secs Computing kpt #: 118 total cpu time spent up to now is 67.3 secs Computing kpt #: 119 total cpu time spent up to now is 67.8 secs Computing kpt #: 120 total cpu time spent up to now is 68.5 secs Computing kpt #: 121 total cpu time spent up to now is 69.0 secs Computing kpt #: 122 total cpu time spent up to now is 69.6 secs Computing kpt #: 123 total cpu time spent up to now is 70.2 secs Computing kpt #: 124 total cpu time spent up to now is 70.8 secs Computing kpt #: 125 total cpu time spent up to now is 71.3 secs Computing kpt #: 126 total cpu time spent up to now is 71.9 secs Computing kpt #: 127 total cpu time spent up to now is 72.5 secs Computing kpt #: 128 total cpu time spent up to now is 73.0 secs Computing kpt #: 129 total cpu time spent up to now is 73.6 secs Computing kpt #: 130 total cpu time spent up to now is 74.1 secs Computing kpt #: 131 total cpu time spent up to now is 74.7 secs Computing kpt #: 132 total cpu time spent up to now is 75.2 secs Computing kpt #: 133 total cpu time spent up to now is 75.7 secs Computing kpt #: 134 total cpu time spent up to now is 76.3 secs Computing kpt #: 135 total cpu time spent up to now is 76.8 secs Computing kpt #: 136 total cpu time spent up to now is 77.3 secs Computing kpt #: 137 total cpu time spent up to now is 77.8 secs Computing kpt #: 138 total cpu time spent up to now is 78.3 secs Computing kpt #: 139 total cpu time spent up to now is 78.8 secs Computing kpt #: 140 total cpu time spent up to now is 79.3 secs Computing kpt #: 141 total cpu time spent up to now is 79.8 secs Computing kpt #: 142 total cpu time spent up to now is 80.3 secs Computing kpt #: 143 total cpu time spent up to now is 80.8 secs Computing kpt #: 144 total cpu time spent up to now is 81.3 secs Computing kpt #: 145 total cpu time spent up to now is 81.8 secs Computing kpt #: 146 total cpu time spent up to now is 82.3 secs Computing kpt #: 147 total cpu time spent up to now is 82.8 secs Computing kpt #: 148 total cpu time spent up to now is 83.3 secs Computing kpt #: 149 total cpu time spent up to now is 83.9 secs Computing kpt #: 150 total cpu time spent up to now is 84.4 secs Computing kpt #: 151 total cpu time spent up to now is 84.9 secs Computing kpt #: 152 total cpu time spent up to now is 85.4 secs Computing kpt #: 153 total cpu time spent up to now is 86.0 secs Computing kpt #: 154 total cpu time spent up to now is 86.5 secs Computing kpt #: 155 total cpu time spent up to now is 87.0 secs Computing kpt #: 156 total cpu time spent up to now is 87.5 secs Computing kpt #: 157 total cpu time spent up to now is 88.0 secs Computing kpt #: 158 total cpu time spent up to now is 88.6 secs Computing kpt #: 159 total cpu time spent up to now is 89.1 secs Computing kpt #: 160 total cpu time spent up to now is 89.6 secs Computing kpt #: 161 total cpu time spent up to now is 90.1 secs Computing kpt #: 162 total cpu time spent up to now is 90.6 secs Computing kpt #: 163 total cpu time spent up to now is 91.2 secs Computing kpt #: 164 total cpu time spent up to now is 91.7 secs Computing kpt #: 165 total cpu time spent up to now is 92.2 secs Computing kpt #: 166 total cpu time spent up to now is 92.6 secs Computing kpt #: 167 total cpu time spent up to now is 93.2 secs Computing kpt #: 168 total cpu time spent up to now is 93.7 secs Computing kpt #: 169 total cpu time spent up to now is 94.2 secs Computing kpt #: 170 total cpu time spent up to now is 94.7 secs Computing kpt #: 171 total cpu time spent up to now is 95.2 secs Computing kpt #: 172 total cpu time spent up to now is 95.7 secs Computing kpt #: 173 total cpu time spent up to now is 96.2 secs Computing kpt #: 174 total cpu time spent up to now is 96.7 secs Computing kpt #: 175 total cpu time spent up to now is 97.3 secs Computing kpt #: 176 total cpu time spent up to now is 97.8 secs Computing kpt #: 177 total cpu time spent up to now is 98.3 secs Computing kpt #: 178 total cpu time spent up to now is 98.9 secs Computing kpt #: 179 total cpu time spent up to now is 99.4 secs Computing kpt #: 180 total cpu time spent up to now is 99.9 secs Computing kpt #: 181 total cpu time spent up to now is 100.5 secs Computing kpt #: 182 total cpu time spent up to now is 101.0 secs Computing kpt #: 183 total cpu time spent up to now is 101.6 secs Computing kpt #: 184 total cpu time spent up to now is 102.1 secs Computing kpt #: 185 total cpu time spent up to now is 102.7 secs Computing kpt #: 186 total cpu time spent up to now is 103.2 secs Computing kpt #: 187 total cpu time spent up to now is 103.8 secs Computing kpt #: 188 total cpu time spent up to now is 104.3 secs Computing kpt #: 189 total cpu time spent up to now is 104.9 secs Computing kpt #: 190 total cpu time spent up to now is 105.5 secs Computing kpt #: 191 total cpu time spent up to now is 106.0 secs Computing kpt #: 192 total cpu time spent up to now is 106.6 secs Computing kpt #: 193 total cpu time spent up to now is 107.1 secs Computing kpt #: 194 total cpu time spent up to now is 107.7 secs Computing kpt #: 195 total cpu time spent up to now is 108.2 secs Computing kpt #: 196 total cpu time spent up to now is 108.8 secs Computing kpt #: 197 total cpu time spent up to now is 109.3 secs Computing kpt #: 198 total cpu time spent up to now is 109.8 secs Computing kpt #: 199 total cpu time spent up to now is 110.4 secs Computing kpt #: 200 total cpu time spent up to now is 110.9 secs Computing kpt #: 201 total cpu time spent up to now is 111.5 secs Computing kpt #: 202 total cpu time spent up to now is 112.0 secs Computing kpt #: 203 total cpu time spent up to now is 112.6 secs Computing kpt #: 204 total cpu time spent up to now is 113.1 secs Computing kpt #: 205 total cpu time spent up to now is 113.7 secs Computing kpt #: 206 total cpu time spent up to now is 114.4 secs Computing kpt #: 207 total cpu time spent up to now is 115.0 secs Computing kpt #: 208 total cpu time spent up to now is 115.7 secs Computing kpt #: 209 total cpu time spent up to now is 116.3 secs Computing kpt #: 210 total cpu time spent up to now is 117.0 secs Computing kpt #: 211 total cpu time spent up to now is 117.6 secs Computing kpt #: 212 total cpu time spent up to now is 118.2 secs Computing kpt #: 213 total cpu time spent up to now is 118.9 secs Computing kpt #: 214 total cpu time spent up to now is 119.5 secs Computing kpt #: 215 total cpu time spent up to now is 120.2 secs Computing kpt #: 216 total cpu time spent up to now is 120.8 secs Computing kpt #: 217 total cpu time spent up to now is 121.5 secs Computing kpt #: 218 total cpu time spent up to now is 122.1 secs Computing kpt #: 219 total cpu time spent up to now is 122.8 secs Computing kpt #: 220 total cpu time spent up to now is 123.4 secs Computing kpt #: 221 total cpu time spent up to now is 124.1 secs Computing kpt #: 222 total cpu time spent up to now is 124.7 secs Computing kpt #: 223 total cpu time spent up to now is 125.4 secs Computing kpt #: 224 total cpu time spent up to now is 126.1 secs Computing kpt #: 225 total cpu time spent up to now is 126.7 secs Computing kpt #: 226 total cpu time spent up to now is 127.4 secs Computing kpt #: 227 total cpu time spent up to now is 128.0 secs Computing kpt #: 228 total cpu time spent up to now is 128.5 secs Computing kpt #: 229 total cpu time spent up to now is 129.1 secs Computing kpt #: 230 total cpu time spent up to now is 129.6 secs Computing kpt #: 231 total cpu time spent up to now is 130.1 secs Computing kpt #: 232 total cpu time spent up to now is 130.6 secs Computing kpt #: 233 total cpu time spent up to now is 131.1 secs Computing kpt #: 234 total cpu time spent up to now is 131.6 secs Computing kpt #: 235 total cpu time spent up to now is 132.1 secs Computing kpt #: 236 total cpu time spent up to now is 132.6 secs Computing kpt #: 237 total cpu time spent up to now is 133.0 secs Computing kpt #: 238 total cpu time spent up to now is 133.5 secs Computing kpt #: 239 total cpu time spent up to now is 134.0 secs Computing kpt #: 240 total cpu time spent up to now is 134.5 secs Computing kpt #: 241 total cpu time spent up to now is 135.0 secs Computing kpt #: 242 total cpu time spent up to now is 135.5 secs Computing kpt #: 243 total cpu time spent up to now is 136.0 secs Computing kpt #: 244 total cpu time spent up to now is 136.5 secs Computing kpt #: 245 total cpu time spent up to now is 137.0 secs Computing kpt #: 246 total cpu time spent up to now is 137.5 secs Computing kpt #: 247 total cpu time spent up to now is 138.0 secs Computing kpt #: 248 total cpu time spent up to now is 138.5 secs Computing kpt #: 249 total cpu time spent up to now is 139.0 secs Computing kpt #: 250 total cpu time spent up to now is 139.6 secs Computing kpt #: 251 total cpu time spent up to now is 140.1 secs Computing kpt #: 252 total cpu time spent up to now is 140.6 secs Computing kpt #: 253 total cpu time spent up to now is 141.1 secs Computing kpt #: 254 total cpu time spent up to now is 141.7 secs Computing kpt #: 255 total cpu time spent up to now is 142.2 secs Computing kpt #: 256 total cpu time spent up to now is 142.7 secs Computing kpt #: 257 total cpu time spent up to now is 143.2 secs Computing kpt #: 258 total cpu time spent up to now is 143.7 secs Computing kpt #: 259 total cpu time spent up to now is 144.2 secs Computing kpt #: 260 total cpu time spent up to now is 144.7 secs Computing kpt #: 261 total cpu time spent up to now is 145.2 secs Computing kpt #: 262 total cpu time spent up to now is 145.7 secs Computing kpt #: 263 total cpu time spent up to now is 146.2 secs Computing kpt #: 264 total cpu time spent up to now is 146.7 secs Computing kpt #: 265 total cpu time spent up to now is 147.2 secs Computing kpt #: 266 total cpu time spent up to now is 147.7 secs Computing kpt #: 267 total cpu time spent up to now is 148.2 secs Computing kpt #: 268 total cpu time spent up to now is 148.7 secs Computing kpt #: 269 total cpu time spent up to now is 149.2 secs Computing kpt #: 270 total cpu time spent up to now is 149.7 secs Computing kpt #: 271 total cpu time spent up to now is 150.2 secs Computing kpt #: 272 total cpu time spent up to now is 150.8 secs Computing kpt #: 273 total cpu time spent up to now is 151.2 secs Computing kpt #: 274 total cpu time spent up to now is 151.8 secs Computing kpt #: 275 total cpu time spent up to now is 152.3 secs Computing kpt #: 276 total cpu time spent up to now is 152.8 secs Computing kpt #: 277 total cpu time spent up to now is 153.3 secs Computing kpt #: 278 total cpu time spent up to now is 153.8 secs Computing kpt #: 279 total cpu time spent up to now is 154.3 secs Computing kpt #: 280 total cpu time spent up to now is 154.8 secs Computing kpt #: 281 total cpu time spent up to now is 155.3 secs Computing kpt #: 282 total cpu time spent up to now is 155.8 secs Computing kpt #: 283 total cpu time spent up to now is 156.3 secs Computing kpt #: 284 total cpu time spent up to now is 156.8 secs Computing kpt #: 285 total cpu time spent up to now is 157.3 secs Computing kpt #: 286 total cpu time spent up to now is 157.8 secs Computing kpt #: 287 total cpu time spent up to now is 158.3 secs Computing kpt #: 288 total cpu time spent up to now is 158.8 secs Computing kpt #: 289 total cpu time spent up to now is 159.3 secs Computing kpt #: 290 total cpu time spent up to now is 159.9 secs Computing kpt #: 291 total cpu time spent up to now is 160.4 secs Computing kpt #: 292 total cpu time spent up to now is 160.9 secs Computing kpt #: 293 total cpu time spent up to now is 161.4 secs Computing kpt #: 294 total cpu time spent up to now is 162.0 secs Computing kpt #: 295 total cpu time spent up to now is 162.5 secs Computing kpt #: 296 total cpu time spent up to now is 163.1 secs Computing kpt #: 297 total cpu time spent up to now is 163.6 secs Computing kpt #: 298 total cpu time spent up to now is 164.2 secs Computing kpt #: 299 total cpu time spent up to now is 164.7 secs Computing kpt #: 300 total cpu time spent up to now is 165.3 secs Computing kpt #: 301 total cpu time spent up to now is 165.8 secs Computing kpt #: 302 total cpu time spent up to now is 166.3 secs Computing kpt #: 303 total cpu time spent up to now is 166.9 secs Computing kpt #: 304 total cpu time spent up to now is 167.4 secs Computing kpt #: 305 total cpu time spent up to now is 167.9 secs Computing kpt #: 306 total cpu time spent up to now is 168.4 secs Computing kpt #: 307 total cpu time spent up to now is 168.9 secs Computing kpt #: 308 total cpu time spent up to now is 169.4 secs Computing kpt #: 309 total cpu time spent up to now is 169.9 secs Computing kpt #: 310 total cpu time spent up to now is 170.5 secs Computing kpt #: 311 total cpu time spent up to now is 171.0 secs Computing kpt #: 312 total cpu time spent up to now is 171.5 secs Computing kpt #: 313 total cpu time spent up to now is 171.9 secs Computing kpt #: 314 total cpu time spent up to now is 172.4 secs Computing kpt #: 315 total cpu time spent up to now is 173.0 secs Computing kpt #: 316 total cpu time spent up to now is 173.5 secs Computing kpt #: 317 total cpu time spent up to now is 174.1 secs Computing kpt #: 318 total cpu time spent up to now is 174.6 secs Computing kpt #: 319 total cpu time spent up to now is 175.1 secs Computing kpt #: 320 total cpu time spent up to now is 175.6 secs Computing kpt #: 321 total cpu time spent up to now is 176.1 secs Computing kpt #: 322 total cpu time spent up to now is 176.7 secs Computing kpt #: 323 total cpu time spent up to now is 177.2 secs Computing kpt #: 324 total cpu time spent up to now is 177.7 secs Computing kpt #: 325 total cpu time spent up to now is 178.2 secs Computing kpt #: 326 total cpu time spent up to now is 178.7 secs Computing kpt #: 327 total cpu time spent up to now is 179.3 secs Computing kpt #: 328 total cpu time spent up to now is 179.8 secs Computing kpt #: 329 total cpu time spent up to now is 180.3 secs ethr = 2.63E-08, avg # of iterations = 16.2 total cpu time spent up to now is 180.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2899 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8171 -8.8171 -8.4414 -8.4414 -8.3977 -8.3977 -8.3973 -8.3973 -8.3648 -8.3648 -8.3506 -8.3506 -8.2585 -8.2585 -7.9634 -7.9634 -7.4857 -7.4857 -0.7189 -0.7189 2.6815 2.6815 4.5629 4.5629 4.5974 4.5974 4.6397 4.6397 4.6701 4.6701 4.8044 4.8044 8.3099 8.3099 9.1576 9.1576 10.6933 10.6933 10.8257 10.8257 k = 0.0098-0.0203-0.0121 ( 2895 PWs) bands (ev): -8.8893 -8.8893 -8.8466 -8.8466 -8.8436 -8.8436 -8.8169 -8.8169 -8.4424 -8.4424 -8.3977 -8.3977 -8.3974 -8.3974 -8.3644 -8.3644 -8.3504 -8.3504 -8.2585 -8.2585 -7.9619 -7.9619 -7.4846 -7.4846 -0.7180 -0.7180 2.6804 2.6804 4.5576 4.5576 4.5891 4.5891 4.6360 4.6360 4.6601 4.6601 4.8166 4.8166 8.3156 8.3156 9.1640 9.1640 10.6916 10.6916 10.8239 10.8239 k = 0.0196-0.0406-0.0243 ( 2895 PWs) bands (ev): -8.8899 -8.8899 -8.8466 -8.8466 -8.8443 -8.8443 -8.8164 -8.8164 -8.4451 -8.4451 -8.3984 -8.3984 -8.3967 -8.3967 -8.3635 -8.3635 -8.3495 -8.3495 -8.2583 -8.2583 -7.9576 -7.9576 -7.4813 -7.4813 -0.7153 -0.7153 2.6772 2.6772 4.5370 4.5370 4.5654 4.5654 4.6253 4.6253 4.6429 4.6429 4.8436 4.8436 8.3322 8.3322 9.1830 9.1830 10.6851 10.6851 10.8201 10.8201 k = 0.0294-0.0609-0.0364 ( 2898 PWs) bands (ev): -8.8908 -8.8908 -8.8466 -8.8466 -8.8452 -8.8452 -8.8157 -8.8157 -8.4491 -8.4491 -8.3997 -8.3997 -8.3957 -8.3957 -8.3622 -8.3622 -8.3481 -8.3481 -8.2582 -8.2582 -7.9504 -7.9504 -7.4759 -7.4759 -0.7108 -0.7108 2.6718 2.6718 4.4913 4.4913 4.5358 4.5358 4.6100 4.6100 4.6287 4.6287 4.8743 4.8743 8.3592 8.3592 9.2139 9.2139 10.6707 10.6707 10.8178 10.8178 k = 0.0392-0.0812-0.0485 ( 2910 PWs) bands (ev): -8.8921 -8.8921 -8.8470 -8.8470 -8.8461 -8.8461 -8.8149 -8.8149 -8.4542 -8.4542 -8.4014 -8.4014 -8.3948 -8.3948 -8.3607 -8.3607 -8.3461 -8.3461 -8.2579 -8.2579 -7.9403 -7.9403 -7.4684 -7.4684 -0.7046 -0.7046 2.6640 2.6640 4.4266 4.4266 4.4993 4.4993 4.5929 4.5929 4.6153 4.6153 4.9045 4.9045 8.3956 8.3956 9.2560 9.2560 10.6452 10.6452 10.8209 10.8209 k = 0.0490-0.1015-0.0607 ( 2912 PWs) bands (ev): -8.8937 -8.8937 -8.8483 -8.8483 -8.8462 -8.8462 -8.8139 -8.8139 -8.4598 -8.4598 -8.4033 -8.4033 -8.3939 -8.3939 -8.3593 -8.3593 -8.3435 -8.3435 -8.2575 -8.2575 -7.9276 -7.9276 -7.4587 -7.4587 -0.6966 -0.6966 2.6535 2.6535 4.3505 4.3505 4.4531 4.4531 4.5749 4.5749 4.6007 4.6007 4.9330 4.9330 8.4401 8.4401 9.3079 9.3079 10.6083 10.6083 10.8308 10.8308 k = 0.0588-0.1218-0.0728 ( 2912 PWs) bands (ev): -8.8956 -8.8956 -8.8499 -8.8499 -8.8461 -8.8461 -8.8129 -8.8129 -8.4658 -8.4658 -8.4056 -8.4056 -8.3930 -8.3930 -8.3580 -8.3580 -8.3405 -8.3405 -8.2570 -8.2570 -7.9121 -7.9121 -7.4468 -7.4468 -0.6869 -0.6869 2.6399 2.6399 4.2660 4.2660 4.3980 4.3980 4.5556 4.5556 4.5841 4.5841 4.9595 4.9595 8.4910 8.4910 9.3680 9.3680 10.5615 10.5615 10.8471 10.8471 k = 0.0686-0.1421-0.0849 ( 2907 PWs) bands (ev): -8.8978 -8.8978 -8.8517 -8.8517 -8.8459 -8.8459 -8.8120 -8.8120 -8.4718 -8.4718 -8.4080 -8.4080 -8.3923 -8.3923 -8.3569 -8.3569 -8.3372 -8.3372 -8.2564 -8.2564 -7.8942 -7.8942 -7.4330 -7.4330 -0.6756 -0.6756 2.6229 2.6229 4.1745 4.1745 4.3361 4.3361 4.5347 4.5347 4.5653 4.5653 4.9843 4.9843 8.5467 8.5467 9.4346 9.4346 10.5073 10.5073 10.8685 10.8685 k = 0.0784-0.1624-0.0971 ( 2912 PWs) bands (ev): -8.9002 -8.9002 -8.8536 -8.8536 -8.8458 -8.8458 -8.8112 -8.8112 -8.4778 -8.4778 -8.4106 -8.4106 -8.3917 -8.3917 -8.3559 -8.3559 -8.3339 -8.3339 -8.2557 -8.2557 -7.8738 -7.8738 -7.4170 -7.4170 -0.6627 -0.6627 2.6019 2.6019 4.0769 4.0769 4.2691 4.2691 4.5117 4.5117 4.5442 4.5442 5.0076 5.0076 8.6054 8.6054 9.5052 9.5052 10.4481 10.4481 10.8942 10.8942 k = 0.0882-0.1828-0.1092 ( 2912 PWs) bands (ev): -8.9029 -8.9029 -8.8555 -8.8555 -8.8456 -8.8456 -8.8106 -8.8106 -8.4836 -8.4836 -8.4133 -8.4133 -8.3911 -8.3911 -8.3551 -8.3551 -8.3305 -8.3305 -8.2550 -8.2550 -7.8511 -7.8511 -7.3991 -7.3991 -0.6483 -0.6483 2.5764 2.5764 3.9742 3.9742 4.1992 4.1992 4.4868 4.4868 4.5209 4.5209 5.0295 5.0295 8.6651 8.6651 9.5770 9.5770 10.3865 10.3865 10.9233 10.9233 k = 0.0980-0.2031-0.1213 ( 2913 PWs) bands (ev): -8.9058 -8.9058 -8.8575 -8.8575 -8.8454 -8.8454 -8.8101 -8.8101 -8.4891 -8.4891 -8.4161 -8.4161 -8.3906 -8.3906 -8.3543 -8.3543 -8.3273 -8.3273 -8.2541 -8.2541 -7.8261 -7.8261 -7.3792 -7.3792 -0.6325 -0.6325 2.5455 2.5455 3.8671 3.8671 4.1281 4.1281 4.4600 4.4600 4.4955 4.4955 5.0504 5.0504 8.7239 8.7239 9.6463 9.6463 10.3252 10.3252 10.9553 10.9553 k = 0.1078-0.2234-0.1335 ( 2917 PWs) bands (ev): -8.9089 -8.9089 -8.8597 -8.8597 -8.8452 -8.8452 -8.8097 -8.8097 -8.4943 -8.4943 -8.4189 -8.4189 -8.3901 -8.3901 -8.3536 -8.3536 -8.3242 -8.3242 -8.2531 -8.2531 -7.7990 -7.7990 -7.3574 -7.3574 -0.6154 -0.6154 2.5087 2.5087 3.7565 3.7565 4.0577 4.0577 4.4312 4.4312 4.4682 4.4682 5.0702 5.0702 8.7797 8.7797 9.7085 9.7085 10.2680 10.2680 10.9896 10.9896 k = 0.1176-0.2437-0.1456 ( 2921 PWs) bands (ev): -8.9121 -8.9121 -8.8620 -8.8620 -8.8450 -8.8450 -8.8095 -8.8095 -8.4992 -8.4992 -8.4218 -8.4218 -8.3896 -8.3896 -8.3530 -8.3530 -8.3214 -8.3214 -8.2519 -8.2519 -7.7698 -7.7698 -7.3337 -7.3337 -0.5971 -0.5971 2.4653 2.4653 3.6429 3.6429 3.9894 3.9894 4.4007 4.4007 4.4391 4.4391 5.0893 5.0893 8.8307 8.8307 9.7571 9.7571 10.2198 10.2198 11.0256 11.0256 k = 0.1275-0.2640-0.1577 ( 2923 PWs) bands (ev): -8.9154 -8.9154 -8.8643 -8.8643 -8.8448 -8.8448 -8.8094 -8.8094 -8.5036 -8.5036 -8.4246 -8.4246 -8.3891 -8.3891 -8.3524 -8.3524 -8.3188 -8.3188 -8.2507 -8.2507 -7.7387 -7.7387 -7.3082 -7.3082 -0.5779 -0.5779 2.4146 2.4146 3.5273 3.5273 3.9248 3.9248 4.3686 4.3686 4.4084 4.4084 5.1074 5.1074 8.8748 8.8748 9.7847 9.7847 10.1861 10.1861 11.0630 11.0630 k = 0.1373-0.2843-0.1699 ( 2927 PWs) bands (ev): -8.9188 -8.9188 -8.8669 -8.8669 -8.8445 -8.8445 -8.8095 -8.8095 -8.5076 -8.5076 -8.4274 -8.4274 -8.3887 -8.3887 -8.3518 -8.3518 -8.3164 -8.3164 -8.2493 -8.2493 -7.7057 -7.7057 -7.2810 -7.2810 -0.5577 -0.5577 2.3563 2.3563 3.4101 3.4101 3.8650 3.8650 4.3351 4.3351 4.3762 4.3762 5.1248 5.1248 8.9103 8.9103 9.7864 9.7864 10.1701 10.1701 11.1012 11.1012 k = 0.1471-0.3046-0.1820 ( 2929 PWs) bands (ev): -8.9222 -8.9222 -8.8696 -8.8696 -8.8443 -8.8443 -8.8096 -8.8096 -8.5112 -8.5112 -8.4302 -8.4302 -8.3882 -8.3882 -8.3514 -8.3514 -8.3142 -8.3142 -8.2478 -8.2478 -7.6709 -7.6709 -7.2521 -7.2521 -0.5370 -0.5370 2.2900 2.2900 3.2922 3.2922 3.8109 3.8109 4.3004 4.3004 4.3428 4.3428 5.1412 5.1412 8.9356 8.9356 9.7651 9.7651 10.1675 10.1675 11.1399 11.1399 k = 0.1569-0.3249-0.1941 ( 2924 PWs) bands (ev): -8.9256 -8.9256 -8.8725 -8.8725 -8.8441 -8.8441 -8.8098 -8.8098 -8.5143 -8.5143 -8.4329 -8.4329 -8.3876 -8.3876 -8.3509 -8.3509 -8.3123 -8.3123 -8.2462 -8.2462 -7.6344 -7.6344 -7.2216 -7.2216 -0.5158 -0.5158 2.2160 2.2160 3.1742 3.1742 3.7630 3.7630 4.2647 4.2647 4.3084 4.3084 5.1566 5.1566 8.9494 8.9494 9.7291 9.7291 10.1689 10.1689 11.1784 11.1784 k = 0.1667-0.3452-0.2063 ( 2930 PWs) bands (ev): -8.9291 -8.9291 -8.8755 -8.8755 -8.8438 -8.8438 -8.8101 -8.8101 -8.5170 -8.5170 -8.4356 -8.4356 -8.3871 -8.3871 -8.3504 -8.3504 -8.3106 -8.3106 -8.2445 -8.2445 -7.5962 -7.5962 -7.1895 -7.1895 -0.4945 -0.4945 2.1345 2.1345 3.0568 3.0568 3.7215 3.7215 4.2280 4.2280 4.2730 4.2730 5.1709 5.1709 8.9513 8.9513 9.6859 9.6859 10.1666 10.1666 11.2165 11.2165 k = 0.1765-0.3655-0.2184 ( 2929 PWs) bands (ev): -8.9325 -8.9325 -8.8787 -8.8787 -8.8436 -8.8436 -8.8105 -8.8105 -8.5193 -8.5193 -8.4381 -8.4381 -8.3865 -8.3865 -8.3500 -8.3500 -8.3092 -8.3092 -8.2427 -8.2427 -7.5565 -7.5565 -7.1560 -7.1560 -0.4734 -0.4734 2.0461 2.0461 2.9407 2.9407 3.6863 3.6863 4.1907 4.1907 4.2369 4.2369 5.1839 5.1839 8.9415 8.9415 9.6399 9.6399 10.1568 10.1568 11.2538 11.2538 k = 0.1863-0.3858-0.2305 ( 2926 PWs) bands (ev): -8.9359 -8.9359 -8.8821 -8.8821 -8.8433 -8.8433 -8.8108 -8.8108 -8.5213 -8.5213 -8.4407 -8.4407 -8.3859 -8.3859 -8.3496 -8.3496 -8.3078 -8.3078 -8.2408 -8.2408 -7.5152 -7.5152 -7.1210 -7.1210 -0.4528 -0.4528 1.9515 1.9515 2.8265 2.8265 3.6569 3.6569 4.1528 4.1528 4.2003 4.2003 5.1953 5.1953 8.9208 8.9208 9.5930 9.5930 10.1381 10.1381 11.2898 11.2898 k = 0.1961-0.4061-0.2427 ( 2922 PWs) bands (ev): -8.9393 -8.9393 -8.8856 -8.8856 -8.8431 -8.8431 -8.8111 -8.8111 -8.5229 -8.5229 -8.4431 -8.4431 -8.3853 -8.3853 -8.3493 -8.3493 -8.3067 -8.3067 -8.2389 -8.2389 -7.4725 -7.4725 -7.0848 -7.0848 -0.4331 -0.4331 1.8516 1.8516 2.7149 2.7149 3.6330 3.6330 4.1146 4.1146 4.1632 4.1632 5.2051 5.2051 8.8909 8.8909 9.5455 9.5455 10.1112 10.1112 11.3243 11.3243 k = 0.2059-0.4264-0.2548 ( 2924 PWs) bands (ev): -8.9426 -8.9426 -8.8893 -8.8893 -8.8428 -8.8428 -8.8115 -8.8115 -8.5242 -8.5242 -8.4455 -8.4455 -8.3846 -8.3846 -8.3489 -8.3489 -8.3057 -8.3057 -8.2369 -8.2369 -7.4284 -7.4284 -7.0473 -7.0473 -0.4149 -0.4149 1.7473 1.7473 2.6068 2.6068 3.6138 3.6138 4.0761 4.0761 4.1259 4.1259 5.2128 5.2128 8.8537 8.8537 9.4971 9.4971 10.0770 10.0770 11.3569 11.3569 k = 0.2157-0.4467-0.2669 ( 2922 PWs) bands (ev): -8.9459 -8.9459 -8.8931 -8.8931 -8.8426 -8.8426 -8.8119 -8.8119 -8.5251 -8.5251 -8.4478 -8.4478 -8.3840 -8.3840 -8.3486 -8.3486 -8.3049 -8.3049 -8.2348 -8.2348 -7.3831 -7.3831 -7.0087 -7.0087 -0.3986 -0.3986 1.6394 1.6394 2.5029 2.5029 3.5988 3.5988 4.0377 4.0377 4.0885 4.0885 5.2185 5.2185 8.8113 8.8113 9.4474 9.4474 10.0370 10.0370 11.3874 11.3874 k = 0.2255-0.4670-0.2791 ( 2921 PWs) bands (ev): -8.9491 -8.9491 -8.8970 -8.8970 -8.8423 -8.8423 -8.8122 -8.8122 -8.5258 -8.5258 -8.4500 -8.4500 -8.3833 -8.3833 -8.3483 -8.3483 -8.3041 -8.3041 -8.2328 -8.2328 -7.3365 -7.3365 -6.9692 -6.9692 -0.3848 -0.3848 1.5290 1.5290 2.4041 2.4041 3.5874 3.5874 3.9993 3.9993 4.0512 4.0512 5.2217 5.2217 8.7655 8.7655 9.3959 9.3959 9.9923 9.9923 11.4156 11.4156 k = 0.2353-0.4873-0.2912 ( 2916 PWs) bands (ev): -8.9522 -8.9522 -8.9010 -8.9010 -8.8420 -8.8420 -8.8125 -8.8125 -8.5263 -8.5263 -8.4521 -8.4521 -8.3825 -8.3825 -8.3480 -8.3480 -8.3035 -8.3035 -8.2307 -8.2307 -7.2888 -7.2888 -6.9287 -6.9287 -0.3742 -0.3742 1.4166 1.4166 2.3111 2.3111 3.5789 3.5789 3.9611 3.9611 4.0141 4.0141 5.2223 5.2223 8.7180 8.7180 9.3426 9.3426 9.9441 9.9441 11.4414 11.4414 k = 0.2451-0.5076-0.3033 ( 2920 PWs) bands (ev): -8.9552 -8.9552 -8.9051 -8.9051 -8.8418 -8.8418 -8.8128 -8.8128 -8.5266 -8.5266 -8.4542 -8.4542 -8.3818 -8.3818 -8.3477 -8.3477 -8.3029 -8.3029 -8.2286 -8.2286 -7.2401 -7.2401 -6.8874 -6.8874 -0.3673 -0.3673 1.3032 1.3032 2.2249 2.2249 3.5728 3.5728 3.9233 3.9233 3.9773 3.9773 5.2202 5.2202 8.6699 8.6699 9.2875 9.2875 9.8932 9.8932 11.4646 11.4646 k = 0.2549-0.5280-0.3155 ( 2912 PWs) bands (ev): -8.9582 -8.9582 -8.9093 -8.9093 -8.8415 -8.8415 -8.8131 -8.8131 -8.5266 -8.5266 -8.4562 -8.4562 -8.3810 -8.3810 -8.3475 -8.3475 -8.3024 -8.3024 -8.2265 -8.2265 -7.1905 -7.1905 -6.8454 -6.8454 -0.3650 -0.3650 1.1892 1.1892 2.1464 2.1464 3.5685 3.5685 3.8861 3.8861 3.9410 3.9410 5.2151 5.2151 8.6223 8.6223 9.2311 9.2311 9.8405 9.8405 11.4853 11.4853 k = 0.2647-0.5483-0.3276 ( 2912 PWs) bands (ev): -8.9610 -8.9610 -8.9134 -8.9134 -8.8412 -8.8412 -8.8134 -8.8134 -8.5265 -8.5265 -8.4581 -8.4581 -8.3802 -8.3802 -8.3472 -8.3472 -8.3020 -8.3020 -8.2245 -8.2245 -7.1400 -7.1400 -6.8030 -6.8030 -0.3677 -0.3677 1.0754 1.0754 2.0763 2.0763 3.5656 3.5656 3.8494 3.8494 3.9053 3.9053 5.2069 5.2069 8.5759 8.5759 9.1739 9.1739 9.7867 9.7867 11.5035 11.5035 k = 0.2745-0.5686-0.3397 ( 2913 PWs) bands (ev): -8.9637 -8.9637 -8.9176 -8.9176 -8.8410 -8.8410 -8.8136 -8.8136 -8.5262 -8.5262 -8.4599 -8.4599 -8.3794 -8.3794 -8.3470 -8.3470 -8.3016 -8.3016 -8.2225 -8.2225 -7.0888 -7.0888 -6.7601 -6.7601 -0.3761 -0.3761 0.9622 0.9622 2.0156 2.0156 3.5636 3.5636 3.8135 3.8135 3.8703 3.8703 5.1956 5.1956 8.5310 8.5310 9.1166 9.1166 9.7322 9.7322 11.5193 11.5193 k = 0.2843-0.5889-0.3519 ( 2913 PWs) bands (ev): -8.9663 -8.9663 -8.9218 -8.9218 -8.8407 -8.8407 -8.8138 -8.8138 -8.5259 -8.5259 -8.4617 -8.4617 -8.3786 -8.3786 -8.3468 -8.3468 -8.3013 -8.3013 -8.2205 -8.2205 -7.0371 -7.0371 -6.7170 -6.7170 -0.3907 -0.3907 0.8501 0.8501 1.9647 1.9647 3.5619 3.5619 3.7784 3.7784 3.8361 3.8361 5.1812 5.1812 8.4880 8.4880 9.0598 9.0598 9.6778 9.6778 11.5326 11.5326 k = 0.2941-0.6092-0.3640 ( 2914 PWs) bands (ev): -8.9688 -8.9688 -8.9259 -8.9259 -8.8405 -8.8405 -8.8140 -8.8140 -8.5254 -8.5254 -8.4634 -8.4634 -8.3778 -8.3778 -8.3467 -8.3467 -8.3010 -8.3010 -8.2186 -8.2186 -6.9849 -6.9849 -6.6739 -6.6739 -0.4116 -0.4116 0.7397 0.7397 1.9242 1.9242 3.5601 3.5601 3.7443 3.7443 3.8029 3.8029 5.1638 5.1638 8.4467 8.4467 9.0044 9.0044 9.6237 9.6237 11.5438 11.5438 k = 0.3039-0.6295-0.3761 ( 2920 PWs) bands (ev): -8.9711 -8.9711 -8.9300 -8.9300 -8.8403 -8.8403 -8.8143 -8.8143 -8.5248 -8.5248 -8.4650 -8.4650 -8.3770 -8.3770 -8.3465 -8.3465 -8.3007 -8.3007 -8.2167 -8.2167 -6.9325 -6.9325 -6.6309 -6.6309 -0.4388 -0.4388 0.6312 0.6312 1.8943 1.8943 3.5579 3.5579 3.7112 3.7112 3.7706 3.7706 5.1435 5.1435 8.4071 8.4071 8.9512 8.9512 9.5705 9.5705 11.5528 11.5528 k = 0.3137-0.6498-0.3882 ( 2922 PWs) bands (ev): -8.9733 -8.9733 -8.9340 -8.9340 -8.8400 -8.8400 -8.8144 -8.8144 -8.5242 -8.5242 -8.4666 -8.4666 -8.3761 -8.3761 -8.3464 -8.3464 -8.3005 -8.3005 -8.2149 -8.2149 -6.8799 -6.8799 -6.5881 -6.5881 -0.4722 -0.4722 0.5250 0.5250 1.8750 1.8750 3.5546 3.5546 3.6793 3.6793 3.7395 3.7395 5.1206 5.1206 8.3688 8.3688 8.9010 8.9010 9.5185 9.5185 11.5600 11.5600 k = 0.3235-0.6701-0.4004 ( 2922 PWs) bands (ev): -8.9754 -8.9754 -8.9379 -8.9379 -8.8398 -8.8398 -8.8146 -8.8146 -8.5235 -8.5235 -8.4681 -8.4681 -8.3753 -8.3753 -8.3463 -8.3463 -8.3003 -8.3003 -8.2132 -8.2132 -6.8273 -6.8273 -6.5459 -6.5459 -0.5113 -0.5113 0.4216 0.4216 1.8660 1.8660 3.5499 3.5499 3.6486 3.6486 3.7096 3.7096 5.0955 5.0955 8.3314 8.3314 8.8547 8.8547 9.4679 9.4679 11.5654 11.5654 k = 0.3333-0.6904-0.4125 ( 2924 PWs) bands (ev): -8.9774 -8.9774 -8.9418 -8.9418 -8.8395 -8.8395 -8.8148 -8.8148 -8.5228 -8.5228 -8.4695 -8.4695 -8.3745 -8.3745 -8.3462 -8.3462 -8.3001 -8.3001 -8.2115 -8.2115 -6.7750 -6.7750 -6.5044 -6.5044 -0.5554 -0.5554 0.3212 0.3212 1.8669 1.8669 3.5433 3.5433 3.6194 3.6194 3.6809 3.6809 5.0686 5.0686 8.2946 8.2946 8.8130 8.8130 9.4191 9.4191 11.5693 11.5693 k = 0.3431-0.7107-0.4246 ( 2926 PWs) bands (ev): -8.9792 -8.9792 -8.9455 -8.9455 -8.8393 -8.8393 -8.8149 -8.8149 -8.5220 -8.5220 -8.4708 -8.4708 -8.3737 -8.3737 -8.3461 -8.3461 -8.2999 -8.2999 -8.2099 -8.2099 -6.7230 -6.7230 -6.4638 -6.4638 -0.6037 -0.6037 0.2242 0.2242 1.8770 1.8770 3.5341 3.5341 3.5916 3.5916 3.6535 3.6535 5.0403 5.0403 8.2579 8.2579 8.7764 8.7764 9.3722 9.3722 11.5718 11.5718 k = 0.3529-0.7310-0.4368 ( 2928 PWs) bands (ev): -8.9809 -8.9809 -8.9491 -8.9491 -8.8391 -8.8391 -8.8151 -8.8151 -8.5212 -8.5212 -8.4721 -8.4721 -8.3729 -8.3729 -8.3460 -8.3460 -8.2996 -8.2996 -8.2083 -8.2083 -6.6717 -6.6717 -6.4245 -6.4245 -0.6551 -0.6551 0.1308 0.1308 1.8955 1.8955 3.5221 3.5221 3.5656 3.5656 3.6274 3.6274 5.0111 5.0111 8.2210 8.2210 8.7452 8.7452 9.3275 9.3275 11.5732 11.5732 k = 0.3627-0.7513-0.4489 ( 2935 PWs) bands (ev): -8.9824 -8.9824 -8.9526 -8.9526 -8.8389 -8.8389 -8.8152 -8.8152 -8.5205 -8.5205 -8.4734 -8.4734 -8.3721 -8.3721 -8.3460 -8.3460 -8.2995 -8.2995 -8.2069 -8.2069 -6.6213 -6.6213 -6.3865 -6.3865 -0.7088 -0.7088 0.0414 0.0414 1.9217 1.9217 3.5067 3.5067 3.5415 3.5415 3.6026 3.6026 4.9818 4.9818 8.1840 8.1840 8.7196 8.7196 9.2852 9.2852 11.5736 11.5736 k = 0.3725-0.7716-0.4610 ( 2940 PWs) bands (ev): -8.9837 -8.9837 -8.9559 -8.9559 -8.8387 -8.8387 -8.8153 -8.8153 -8.5197 -8.5197 -8.4746 -8.4746 -8.3714 -8.3714 -8.3460 -8.3460 -8.2993 -8.2993 -8.2056 -8.2056 -6.5720 -6.5720 -6.3502 -6.3502 -0.7636 -0.7636 -0.0436 -0.0436 1.9547 1.9547 3.4878 3.4878 3.5191 3.5191 3.5791 3.5791 4.9527 4.9527 8.1470 8.1470 8.6992 8.6992 9.2453 9.2453 11.5732 11.5732 k = 0.3824-0.7919-0.4732 ( 2940 PWs) bands (ev): -8.9849 -8.9849 -8.9591 -8.9591 -8.8385 -8.8385 -8.8155 -8.8155 -8.5189 -8.5189 -8.4757 -8.4757 -8.3707 -8.3707 -8.3459 -8.3459 -8.2991 -8.2991 -8.2043 -8.2043 -6.5239 -6.5239 -6.3159 -6.3159 -0.8186 -0.8186 -0.1241 -0.1241 1.9936 1.9936 3.4659 3.4659 3.4979 3.4979 3.5568 3.5568 4.9245 4.9245 8.1102 8.1102 8.6839 8.6839 9.2079 9.2079 11.5721 11.5721 k = 0.3922-0.8122-0.4853 ( 2939 PWs) bands (ev): -8.9860 -8.9860 -8.9621 -8.9621 -8.8383 -8.8383 -8.8156 -8.8156 -8.5181 -8.5181 -8.4767 -8.4767 -8.3700 -8.3700 -8.3459 -8.3459 -8.2989 -8.2989 -8.2031 -8.2031 -6.4775 -6.4775 -6.2838 -6.2838 -0.8728 -0.8728 -0.1996 -0.1996 2.0375 2.0375 3.4412 3.4412 3.4775 3.4775 3.5359 3.5359 4.8976 4.8976 8.0742 8.0742 8.6729 8.6729 9.1733 9.1733 11.5706 11.5706 k = 0.4020-0.8325-0.4974 ( 2932 PWs) bands (ev): -8.9868 -8.9868 -8.9650 -8.9650 -8.8381 -8.8381 -8.8156 -8.8156 -8.5174 -8.5174 -8.4777 -8.4777 -8.3693 -8.3693 -8.3459 -8.3459 -8.2988 -8.2988 -8.2020 -8.2020 -6.4330 -6.4330 -6.2543 -6.2543 -0.9254 -0.9254 -0.2699 -0.2699 2.0856 2.0856 3.4133 3.4133 3.4580 3.4580 3.5165 3.5165 4.8726 4.8726 8.0393 8.0393 8.6656 8.6656 9.1414 9.1414 11.5687 11.5687 k = 0.4118-0.8528-0.5096 ( 2934 PWs) bands (ev): -8.9875 -8.9875 -8.9677 -8.9677 -8.8380 -8.8380 -8.8157 -8.8157 -8.5167 -8.5167 -8.4786 -8.4786 -8.3687 -8.3687 -8.3459 -8.3459 -8.2986 -8.2986 -8.2010 -8.2010 -6.3906 -6.3906 -6.2274 -6.2274 -0.9755 -0.9755 -0.3347 -0.3347 2.1370 2.1370 3.3819 3.3819 3.4400 3.4400 3.4987 3.4987 4.8497 4.8497 8.0062 8.0062 8.6613 8.6613 9.1123 9.1123 11.5665 11.5665 k = 0.4216-0.8732-0.5217 ( 2934 PWs) bands (ev): -8.9881 -8.9881 -8.9703 -8.9703 -8.8378 -8.8378 -8.8158 -8.8158 -8.5160 -8.5160 -8.4794 -8.4794 -8.3682 -8.3682 -8.3459 -8.3459 -8.2985 -8.2985 -8.2001 -8.2001 -6.3507 -6.3507 -6.2037 -6.2037 -1.0223 -1.0223 -0.3937 -0.3937 2.1908 2.1908 3.3467 3.3467 3.4238 3.4238 3.4829 3.4829 4.8292 4.8292 7.9753 7.9753 8.6595 8.6595 9.0861 9.0861 11.5643 11.5643 k = 0.4314-0.8935-0.5338 ( 2930 PWs) bands (ev): -8.9885 -8.9885 -8.9726 -8.9726 -8.8377 -8.8377 -8.8159 -8.8159 -8.5154 -8.5154 -8.4801 -8.4801 -8.3677 -8.3677 -8.3458 -8.3458 -8.2984 -8.2984 -8.1993 -8.1993 -6.3135 -6.3135 -6.1832 -6.1832 -1.0653 -1.0653 -0.4465 -0.4465 2.2461 2.2461 3.3083 3.3083 3.4094 3.4094 3.4688 3.4688 4.8113 4.8113 7.9470 7.9470 8.6593 8.6593 9.0628 9.0628 11.5620 11.5620 k = 0.4412-0.9138-0.5460 ( 2934 PWs) bands (ev): -8.9887 -8.9887 -8.9747 -8.9747 -8.8376 -8.8376 -8.8159 -8.8159 -8.5149 -8.5149 -8.4807 -8.4807 -8.3672 -8.3672 -8.3459 -8.3459 -8.2983 -8.2983 -8.1986 -8.1986 -6.2792 -6.2792 -6.1662 -6.1662 -1.1038 -1.1038 -0.4929 -0.4929 2.3016 2.3016 3.2674 3.2674 3.3970 3.3970 3.4567 3.4567 4.7959 4.7959 7.9218 7.9218 8.6604 8.6604 9.0424 9.0424 11.5598 11.5598 k = 0.4510-0.9341-0.5581 ( 2932 PWs) bands (ev): -8.9888 -8.9888 -8.9767 -8.9767 -8.8375 -8.8375 -8.8160 -8.8160 -8.5144 -8.5144 -8.4813 -8.4813 -8.3669 -8.3669 -8.3459 -8.3459 -8.2982 -8.2982 -8.1981 -8.1981 -6.2483 -6.2483 -6.1530 -6.1530 -1.1372 -1.1372 -0.5326 -0.5326 2.3561 2.3561 3.2254 3.2254 3.3865 3.3865 3.4464 3.4464 4.7832 4.7832 7.8998 7.8998 8.6622 8.6622 9.0252 9.0252 11.5577 11.5577 k = 0.4608-0.9544-0.5702 ( 2931 PWs) bands (ev): -8.9887 -8.9887 -8.9784 -8.9784 -8.8374 -8.8374 -8.8160 -8.8160 -8.5140 -8.5140 -8.4818 -8.4818 -8.3665 -8.3665 -8.3459 -8.3459 -8.2981 -8.2981 -8.1976 -8.1976 -6.2208 -6.2208 -6.1436 -6.1436 -1.1652 -1.1652 -0.5655 -0.5655 2.4077 2.4077 3.1840 3.1840 3.3779 3.3779 3.4380 3.4380 4.7729 4.7729 7.8816 7.8816 8.6642 8.6642 9.0109 9.0109 11.5559 11.5559 k = 0.4706-0.9747-0.5824 ( 2926 PWs) bands (ev): -8.9885 -8.9885 -8.9798 -8.9798 -8.8374 -8.8374 -8.8160 -8.8160 -8.5136 -8.5136 -8.4821 -8.4821 -8.3663 -8.3663 -8.3459 -8.3459 -8.2980 -8.2980 -8.1972 -8.1972 -6.1971 -6.1971 -6.1382 -6.1382 -1.1873 -1.1873 -0.5913 -0.5913 2.4540 2.4540 3.1456 3.1456 3.3712 3.3712 3.4315 3.4315 4.7651 4.7651 7.8671 7.8671 8.6662 8.6662 8.9998 8.9998 11.5544 11.5544 k = 0.4804-0.9950-0.5945 ( 2922 PWs) bands (ev): -8.9883 -8.9883 -8.9810 -8.9810 -8.8373 -8.8373 -8.8161 -8.8161 -8.5134 -8.5134 -8.4824 -8.4824 -8.3661 -8.3661 -8.3459 -8.3459 -8.2980 -8.2980 -8.1969 -8.1969 -6.1775 -6.1775 -6.1369 -6.1369 -1.2033 -1.2033 -0.6098 -0.6098 2.4916 2.4916 3.1135 3.1135 3.3664 3.3664 3.4269 3.4269 4.7596 4.7596 7.8567 7.8567 8.6679 8.6679 8.9919 8.9919 11.5532 11.5532 k = 0.4902-1.0153-0.6066 ( 2916 PWs) bands (ev): -8.9881 -8.9881 -8.9817 -8.9817 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4825 -8.4825 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1625 -6.1625 -6.1392 -6.1392 -1.2130 -1.2130 -0.6210 -0.6210 2.5167 2.5167 3.0917 3.0917 3.3636 3.3636 3.4241 3.4241 4.7563 4.7563 7.8503 7.8503 8.6689 8.6689 8.9871 8.9871 11.5525 11.5525 k = 0.5000-1.0356-0.6188 ( 2922 PWs) bands (ev): -8.9880 -8.9880 -8.9820 -8.9820 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4826 -8.4826 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1552 -6.1552 -6.1422 -6.1422 -1.2163 -1.2163 -0.6247 -0.6247 2.5256 2.5256 3.0839 3.0839 3.3626 3.3626 3.4231 3.4231 4.7552 4.7552 7.8482 7.8482 8.6693 8.6693 8.9855 8.9855 11.5523 11.5523 k = 0.5000-1.0356-0.6188 ( 2922 PWs) bands (ev): -8.9880 -8.9880 -8.9820 -8.9820 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4826 -8.4826 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1552 -6.1552 -6.1422 -6.1422 -1.2163 -1.2163 -0.6247 -0.6247 2.5256 2.5256 3.0839 3.0839 3.3626 3.3626 3.4231 3.4231 4.7552 4.7552 7.8482 7.8482 8.6693 8.6693 8.9855 8.9855 11.5523 11.5523 k = 0.5000-1.0228-0.6402 ( 2920 PWs) bands (ev): -8.9885 -8.9885 -8.9814 -8.9814 -8.8372 -8.8372 -8.8161 -8.8161 -8.5135 -8.5135 -8.4825 -8.4825 -8.3659 -8.3659 -8.3459 -8.3459 -8.2980 -8.2980 -8.1967 -8.1967 -6.1547 -6.1547 -6.1417 -6.1417 -1.2158 -1.2158 -0.6239 -0.6239 2.5262 2.5262 3.0792 3.0792 3.3567 3.3567 3.4225 3.4225 4.7556 4.7556 7.8541 7.8541 8.6704 8.6704 8.9938 8.9938 11.5435 11.5435 k = 0.5000-1.0099-0.6617 ( 2922 PWs) bands (ev): -8.9898 -8.9898 -8.9801 -8.9801 -8.8372 -8.8372 -8.8160 -8.8160 -8.5142 -8.5142 -8.4820 -8.4820 -8.3658 -8.3658 -8.3458 -8.3458 -8.2981 -8.2981 -8.1967 -8.1967 -6.1530 -6.1530 -6.1400 -6.1400 -1.2144 -1.2144 -0.6215 -0.6215 2.5280 2.5280 3.0647 3.0647 3.3391 3.3391 3.4209 3.4209 4.7565 4.7565 7.8713 7.8713 8.6736 8.6736 9.0185 9.0185 11.5171 11.5171 k = 0.5000-0.9971-0.6832 ( 2924 PWs) bands (ev): -8.9914 -8.9914 -8.9785 -8.9785 -8.8371 -8.8371 -8.8159 -8.8159 -8.5155 -8.5155 -8.4814 -8.4814 -8.3655 -8.3655 -8.3458 -8.3458 -8.2983 -8.2983 -8.1967 -8.1967 -6.1503 -6.1503 -6.1371 -6.1371 -1.2121 -1.2121 -0.6175 -0.6175 2.5308 2.5308 3.0403 3.0403 3.3109 3.3109 3.4186 3.4186 4.7578 4.7578 7.8994 7.8994 8.6791 8.6791 9.0593 9.0593 11.4742 11.4742 k = 0.5000-0.9843-0.7047 ( 2922 PWs) bands (ev): -8.9931 -8.9931 -8.9768 -8.9768 -8.8371 -8.8371 -8.8158 -8.8158 -8.5171 -8.5171 -8.4806 -8.4806 -8.3651 -8.3651 -8.3457 -8.3457 -8.2986 -8.2986 -8.1966 -8.1966 -6.1465 -6.1465 -6.1332 -6.1332 -1.2089 -1.2089 -0.6120 -0.6120 2.5345 2.5345 3.0060 3.0060 3.2730 3.2730 3.4163 3.4163 4.7594 4.7594 7.9375 7.9375 8.6867 8.6867 9.1153 9.1153 11.4169 11.4169 k = 0.5000-0.9715-0.7261 ( 2928 PWs) bands (ev): -8.9948 -8.9948 -8.9750 -8.9750 -8.8370 -8.8370 -8.8156 -8.8156 -8.5191 -8.5191 -8.4797 -8.4797 -8.3647 -8.3647 -8.3456 -8.3456 -8.2990 -8.2990 -8.1966 -8.1966 -6.1417 -6.1417 -6.1282 -6.1282 -1.2048 -1.2048 -0.6049 -0.6049 2.5386 2.5386 2.9618 2.9618 3.2269 3.2269 3.4147 3.4147 4.7609 4.7609 7.9844 7.9844 8.6966 8.6966 9.1855 9.1855 11.3478 11.3478 k = 0.5000-0.9586-0.7476 ( 2926 PWs) bands (ev): -8.9964 -8.9964 -8.9732 -8.9732 -8.8368 -8.8368 -8.8154 -8.8154 -8.5212 -8.5212 -8.4787 -8.4787 -8.3641 -8.3641 -8.3455 -8.3455 -8.2995 -8.2995 -8.1966 -8.1966 -6.1359 -6.1359 -6.1222 -6.1222 -1.2000 -1.2000 -0.5963 -0.5963 2.5427 2.5427 2.9083 2.9083 3.1742 3.1742 3.4142 3.4142 4.7621 4.7621 8.0386 8.0386 8.7087 8.7087 9.2685 9.2685 11.2699 11.2699 k = 0.5000-0.9458-0.7691 ( 2934 PWs) bands (ev): -8.9981 -8.9981 -8.9714 -8.9714 -8.8367 -8.8367 -8.8152 -8.8152 -8.5236 -8.5236 -8.4778 -8.4778 -8.3636 -8.3636 -8.3453 -8.3453 -8.3000 -8.3000 -8.1966 -8.1966 -6.1291 -6.1291 -6.1151 -6.1151 -1.1944 -1.1944 -0.5863 -0.5863 2.5456 2.5456 2.8463 2.8463 3.1171 3.1171 3.4151 3.4151 4.7626 4.7626 8.0985 8.0985 8.7231 8.7231 9.3629 9.3629 11.1859 11.1859 k = 0.5000-0.9330-0.7906 ( 2928 PWs) bands (ev): -8.9996 -8.9996 -8.9697 -8.9697 -8.8365 -8.8365 -8.8149 -8.8149 -8.5260 -8.5260 -8.4769 -8.4769 -8.3628 -8.3628 -8.3451 -8.3451 -8.3006 -8.3006 -8.1965 -8.1965 -6.1213 -6.1213 -6.1072 -6.1072 -1.1881 -1.1881 -0.5748 -0.5748 2.5460 2.5460 2.7770 2.7770 3.0582 3.0582 3.4174 3.4174 4.7623 4.7623 8.1624 8.1624 8.7397 8.7397 9.4664 9.4664 11.0990 11.0990 k = 0.5000-0.9201-0.8120 ( 2924 PWs) bands (ev): -9.0012 -9.0012 -8.9680 -8.9680 -8.8363 -8.8363 -8.8145 -8.8145 -8.5286 -8.5286 -8.4760 -8.4760 -8.3621 -8.3621 -8.3449 -8.3449 -8.3013 -8.3013 -8.1965 -8.1965 -6.1127 -6.1127 -6.0983 -6.0983 -1.1812 -1.1812 -0.5621 -0.5621 2.5415 2.5415 2.7017 2.7017 3.0012 3.0012 3.4211 3.4211 4.7608 4.7608 8.2285 8.2285 8.7587 8.7587 9.5762 9.5762 11.0127 11.0127 k = 0.5000-0.9073-0.8335 ( 2926 PWs) bands (ev): -9.0027 -9.0027 -8.9665 -8.9665 -8.8361 -8.8361 -8.8142 -8.8142 -8.5312 -8.5312 -8.4753 -8.4753 -8.3613 -8.3613 -8.3447 -8.3447 -8.3020 -8.3020 -8.1964 -8.1964 -6.1032 -6.1032 -6.0887 -6.0887 -1.1739 -1.1739 -0.5480 -0.5480 2.5285 2.5285 2.6215 2.6215 2.9504 2.9504 3.4259 3.4259 4.7580 4.7580 8.2951 8.2951 8.7798 8.7798 9.6886 9.6886 10.9313 10.9313 k = 0.5000-0.8945-0.8550 ( 2930 PWs) bands (ev): -9.0041 -9.0041 -8.9650 -8.9650 -8.8359 -8.8359 -8.8138 -8.8138 -8.5338 -8.5338 -8.4746 -8.4746 -8.3604 -8.3604 -8.3445 -8.3445 -8.3027 -8.3027 -8.1963 -8.1963 -6.0930 -6.0930 -6.0783 -6.0783 -1.1661 -1.1661 -0.5329 -0.5329 2.5024 2.5024 2.5386 2.5386 2.9109 2.9109 3.4317 3.4317 4.7537 4.7537 8.3605 8.3605 8.8030 8.8030 9.7974 9.7974 10.8612 10.8612 k = 0.5000-0.8816-0.8764 ( 2928 PWs) bands (ev): -9.0055 -9.0055 -8.9635 -8.9635 -8.8356 -8.8356 -8.8134 -8.8134 -8.5364 -8.5364 -8.4740 -8.4740 -8.3595 -8.3595 -8.3442 -8.3442 -8.3035 -8.3035 -8.1963 -8.1963 -6.0821 -6.0821 -6.0673 -6.0673 -1.1581 -1.1581 -0.5166 -0.5166 2.4453 2.4453 2.4695 2.4695 2.8861 2.8861 3.4385 3.4385 4.7476 4.7476 8.4233 8.4233 8.8281 8.8281 9.8932 9.8932 10.8119 10.8119 k = 0.5000-0.8688-0.8979 ( 2928 PWs) bands (ev): -9.0068 -9.0068 -8.9622 -8.9622 -8.8354 -8.8354 -8.8129 -8.8129 -8.5389 -8.5389 -8.4735 -8.4735 -8.3586 -8.3586 -8.3439 -8.3439 -8.3044 -8.3044 -8.1962 -8.1962 -6.0706 -6.0706 -6.0557 -6.0557 -1.1499 -1.1499 -0.4995 -0.4995 2.3591 2.3591 2.4142 2.4142 2.8763 2.8763 3.4459 3.4459 4.7396 4.7396 8.4823 8.4823 8.8547 8.8547 9.9626 9.9626 10.7968 10.7968 k = 0.5000-0.8560-0.9194 ( 2932 PWs) bands (ev): -9.0080 -9.0080 -8.9610 -8.9610 -8.8352 -8.8352 -8.8124 -8.8124 -8.5414 -8.5414 -8.4731 -8.4731 -8.3577 -8.3577 -8.3436 -8.3436 -8.3053 -8.3053 -8.1961 -8.1961 -6.0585 -6.0585 -6.0437 -6.0437 -1.1417 -1.1417 -0.4815 -0.4815 2.2703 2.2703 2.3504 2.3504 2.8790 2.8790 3.4539 3.4539 4.7296 4.7296 8.5367 8.5367 8.8823 8.8823 9.9932 9.9932 10.8282 10.8282 k = 0.5000-0.8432-0.9409 ( 2930 PWs) bands (ev): -9.0092 -9.0092 -8.9599 -8.9599 -8.8350 -8.8350 -8.8119 -8.8119 -8.5438 -8.5438 -8.4728 -8.4728 -8.3568 -8.3568 -8.3432 -8.3432 -8.3061 -8.3061 -8.1960 -8.1960 -6.0461 -6.0461 -6.0313 -6.0313 -1.1337 -1.1337 -0.4630 -0.4630 2.1815 2.1815 2.2805 2.2805 2.8910 2.8910 3.4623 3.4623 4.7174 4.7174 8.5860 8.5860 8.9102 8.9102 9.9833 9.9833 10.9075 10.9075 k = 0.5000-0.8303-0.9623 ( 2928 PWs) bands (ev): -9.0103 -9.0103 -8.9589 -8.9589 -8.8348 -8.8348 -8.8114 -8.8114 -8.5461 -8.5461 -8.4725 -8.4725 -8.3559 -8.3559 -8.3428 -8.3428 -8.3070 -8.3070 -8.1959 -8.1959 -6.0334 -6.0334 -6.0187 -6.0187 -1.1260 -1.1260 -0.4440 -0.4440 2.0938 2.0938 2.2076 2.2076 2.9099 2.9099 3.4710 3.4710 4.7029 4.7029 8.6300 8.6300 8.9377 8.9377 9.9431 9.9431 11.0243 11.0243 k = 0.5000-0.8175-0.9838 ( 2930 PWs) bands (ev): -9.0113 -9.0113 -8.9579 -8.9579 -8.8346 -8.8346 -8.8109 -8.8109 -8.5483 -8.5483 -8.4723 -8.4723 -8.3550 -8.3550 -8.3424 -8.3424 -8.3079 -8.3079 -8.1958 -8.1958 -6.0204 -6.0204 -6.0059 -6.0059 -1.1187 -1.1187 -0.4248 -0.4248 2.0081 2.0081 2.1339 2.1339 2.9340 2.9340 3.4798 3.4798 4.6859 4.6859 8.6686 8.6686 8.9644 8.9644 9.8849 9.8849 11.1655 11.1655 k = 0.5000-0.8047-1.0053 ( 2932 PWs) bands (ev): -9.0123 -9.0123 -8.9571 -8.9571 -8.8344 -8.8344 -8.8104 -8.8104 -8.5503 -8.5503 -8.4721 -8.4721 -8.3542 -8.3542 -8.3420 -8.3420 -8.3088 -8.3088 -8.1957 -8.1957 -6.0074 -6.0074 -5.9932 -5.9932 -1.1121 -1.1121 -0.4056 -0.4056 1.9252 1.9252 2.0614 2.0614 2.9621 2.9621 3.4885 3.4885 4.6662 4.6662 8.7017 8.7017 8.9901 8.9901 9.8178 9.8178 11.3216 11.3216 k = 0.5000-0.7918-1.0267 ( 2932 PWs) bands (ev): -9.0132 -9.0132 -8.9565 -8.9565 -8.8342 -8.8342 -8.8099 -8.8099 -8.5522 -8.5522 -8.4721 -8.4721 -8.3534 -8.3534 -8.3415 -8.3415 -8.3097 -8.3097 -8.1956 -8.1956 -5.9945 -5.9945 -5.9806 -5.9806 -1.1063 -1.1063 -0.3866 -0.3866 1.8460 1.8460 1.9914 1.9914 2.9934 2.9934 3.4971 3.4971 4.6439 4.6439 8.7292 8.7292 9.0151 9.0151 9.7472 9.7472 11.4862 11.4862 k = 0.5000-0.7790-1.0482 ( 2934 PWs) bands (ev): -9.0140 -9.0140 -8.9559 -8.9559 -8.8340 -8.8340 -8.8094 -8.8094 -8.5539 -8.5539 -8.4720 -8.4720 -8.3527 -8.3527 -8.3411 -8.3411 -8.3106 -8.3106 -8.1955 -8.1955 -5.9819 -5.9819 -5.9684 -5.9684 -1.1013 -1.1013 -0.3682 -0.3682 1.7711 1.7711 1.9248 1.9248 3.0275 3.0275 3.5053 3.5053 4.6187 4.6187 8.7507 8.7507 9.0398 9.0398 9.6765 9.6765 11.6550 11.6550 k = 0.5000-0.7662-1.0697 ( 2940 PWs) bands (ev): -9.0148 -9.0148 -8.9554 -8.9554 -8.8339 -8.8339 -8.8090 -8.8090 -8.5554 -8.5554 -8.4720 -8.4720 -8.3520 -8.3520 -8.3406 -8.3406 -8.3114 -8.3114 -8.1954 -8.1954 -5.9696 -5.9696 -5.9565 -5.9565 -1.0975 -1.0975 -0.3505 -0.3505 1.7014 1.7014 1.8626 1.8626 3.0640 3.0640 3.5129 3.5129 4.5907 4.5907 8.7660 8.7660 9.0651 9.0651 9.6076 9.6076 11.8244 11.8244 k = 0.5000-0.7533-1.0912 ( 2944 PWs) bands (ev): -9.0155 -9.0155 -8.9550 -8.9550 -8.8337 -8.8337 -8.8086 -8.8086 -8.5568 -8.5568 -8.4721 -8.4721 -8.3515 -8.3515 -8.3402 -8.3402 -8.3122 -8.3122 -8.1953 -8.1953 -5.9578 -5.9578 -5.9453 -5.9453 -1.0947 -1.0947 -0.3340 -0.3340 1.6375 1.6375 1.8055 1.8055 3.1025 3.1025 3.5199 3.5199 4.5598 4.5598 8.7750 8.7750 9.0916 9.0916 9.5421 9.5421 11.9912 11.9912 k = 0.5000-0.7405-1.1126 ( 2946 PWs) bands (ev): -9.0161 -9.0161 -8.9547 -8.9547 -8.8336 -8.8336 -8.8082 -8.8082 -8.5580 -8.5580 -8.4721 -8.4721 -8.3509 -8.3509 -8.3397 -8.3397 -8.3129 -8.3129 -8.1952 -8.1952 -5.9468 -5.9468 -5.9348 -5.9348 -1.0931 -1.0931 -0.3188 -0.3188 1.5800 1.5800 1.7540 1.7540 3.1428 3.1428 3.5261 3.5261 4.5260 4.5260 8.7782 8.7782 9.1199 9.1199 9.4806 9.4806 12.1517 12.1517 k = 0.5000-0.7277-1.1341 ( 2948 PWs) bands (ev): -9.0166 -9.0166 -8.9544 -8.9544 -8.8335 -8.8335 -8.8078 -8.8078 -8.5590 -8.5590 -8.4722 -8.4722 -8.3505 -8.3505 -8.3393 -8.3393 -8.3135 -8.3135 -8.1951 -8.1951 -5.9367 -5.9367 -5.9252 -5.9252 -1.0928 -1.0928 -0.3052 -0.3052 1.5297 1.5297 1.7087 1.7087 3.1847 3.1847 3.5312 3.5312 4.4895 4.4895 8.7761 8.7761 9.1500 9.1500 9.4240 9.4240 12.3011 12.3011 k = 0.5000-0.7149-1.1556 ( 2950 PWs) bands (ev): -9.0171 -9.0171 -8.9543 -8.9543 -8.8334 -8.8334 -8.8075 -8.8075 -8.5599 -8.5599 -8.4722 -8.4722 -8.3501 -8.3501 -8.3390 -8.3390 -8.3140 -8.3140 -8.1950 -8.1950 -5.9277 -5.9277 -5.9166 -5.9166 -1.0936 -1.0936 -0.2933 -0.2933 1.4869 1.4869 1.6700 1.6700 3.2278 3.2278 3.5352 3.5352 4.4503 4.4503 8.7697 8.7697 9.1819 9.1819 9.3724 9.3724 12.4325 12.4325 k = 0.5000-0.7020-1.1771 ( 2948 PWs) bands (ev): -9.0175 -9.0175 -8.9541 -8.9541 -8.8334 -8.8334 -8.8073 -8.8073 -8.5605 -8.5605 -8.4723 -8.4723 -8.3498 -8.3498 -8.3387 -8.3387 -8.3145 -8.3145 -8.1950 -8.1950 -5.9199 -5.9199 -5.9093 -5.9093 -1.0955 -1.0955 -0.2834 -0.2834 1.4521 1.4521 1.6380 1.6380 3.2719 3.2719 3.5378 3.5378 4.4087 4.4087 8.7601 8.7601 9.2151 9.2151 9.3265 9.3265 12.5355 12.5355 k = 0.5000-0.6892-1.1985 ( 2948 PWs) bands (ev): -9.0178 -9.0178 -8.9541 -8.9541 -8.8333 -8.8333 -8.8071 -8.8071 -8.5610 -8.5610 -8.4723 -8.4723 -8.3496 -8.3496 -8.3384 -8.3384 -8.3148 -8.3148 -8.1949 -8.1949 -5.9136 -5.9136 -5.9034 -5.9034 -1.0983 -1.0983 -0.2753 -0.2753 1.4256 1.4256 1.6129 1.6129 3.3166 3.3166 3.5389 3.5389 4.3652 4.3652 8.7482 8.7482 9.2486 9.2486 9.2870 9.2870 12.5981 12.5981 k = 0.5000-0.6764-1.2200 ( 2946 PWs) bands (ev): -9.0180 -9.0180 -8.9540 -8.9540 -8.8332 -8.8332 -8.8070 -8.8070 -8.5614 -8.5614 -8.4724 -8.4724 -8.3494 -8.3494 -8.3382 -8.3382 -8.3150 -8.3150 -8.1948 -8.1948 -5.9090 -5.9090 -5.8990 -5.8990 -1.1017 -1.1017 -0.2690 -0.2690 1.4076 1.4076 1.5949 1.5949 3.3614 3.3614 3.5384 3.5384 4.3201 4.3201 8.7352 8.7352 9.2478 9.2478 9.2883 9.2883 12.6264 12.6264 k = 0.5000-0.6635-1.2415 ( 2950 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5616 -8.5616 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3152 -8.3152 -8.1948 -8.1948 -5.9062 -5.9062 -5.8964 -5.8964 -1.1056 -1.1056 -0.2642 -0.2642 1.3980 1.3980 1.5840 1.5840 3.4056 3.4056 3.5362 3.5362 4.2742 4.2742 8.7220 8.7220 9.2192 9.2192 9.3234 9.3234 12.6411 12.6411 k = 0.5000-0.6507-1.2629 ( 2944 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5616 -8.5616 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3152 -8.3152 -8.1948 -8.1948 -5.9054 -5.9054 -5.8956 -5.8956 -1.1096 -1.1096 -0.2606 -0.2606 1.3968 1.3968 1.5800 1.5800 3.4482 3.4482 3.5321 3.5321 4.2287 4.2287 8.7094 8.7094 9.1950 9.1950 9.3599 9.3599 12.6459 12.6459 k = 0.5000-0.6379-1.2844 ( 2936 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5615 -8.5615 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3151 -8.3151 -8.1948 -8.1948 -5.9067 -5.9067 -5.8968 -5.8968 -1.1132 -1.1132 -0.2577 -0.2577 1.4035 1.4035 1.5828 1.5828 3.4873 3.4873 3.5267 3.5267 4.1849 4.1849 8.6982 8.6982 9.1758 9.1758 9.3965 9.3965 12.6356 12.6356 k = 0.5000-0.6250-1.3059 ( 2936 PWs) bands (ev): -9.0179 -9.0179 -8.9540 -8.9540 -8.8332 -8.8332 -8.8070 -8.8070 -8.5613 -8.5613 -8.4723 -8.4723 -8.3494 -8.3494 -8.3382 -8.3382 -8.3150 -8.3150 -8.1949 -8.1949 -5.9103 -5.9103 -5.9003 -5.9003 -1.1163 -1.1163 -0.2548 -0.2548 1.4180 1.4180 1.5922 1.5922 3.5116 3.5116 3.5288 3.5288 4.1452 4.1452 8.6891 8.6891 9.1615 9.1615 9.4330 9.4330 12.6111 12.6111 k = 0.8215-0.5515-1.1692 ( 2936 PWs) bands (ev): -9.0179 -9.0179 -8.9540 -8.9540 -8.8332 -8.8332 -8.8070 -8.8070 -8.5613 -8.5613 -8.4723 -8.4723 -8.3494 -8.3494 -8.3382 -8.3382 -8.3150 -8.3150 -8.1949 -8.1949 -5.9103 -5.9103 -5.9003 -5.9003 -1.1163 -1.1163 -0.2548 -0.2548 1.4180 1.4180 1.5922 1.5922 3.5116 3.5116 3.5288 3.5288 4.1452 4.1452 8.6891 8.6891 9.1615 9.1615 9.4330 9.4330 12.6111 12.6111 k = 0.8159-0.5398-1.1475 ( 2932 PWs) bands (ev): -9.0177 -9.0177 -8.9539 -8.9539 -8.8332 -8.8332 -8.8071 -8.8071 -8.5610 -8.5610 -8.4722 -8.4722 -8.3496 -8.3496 -8.3383 -8.3383 -8.3147 -8.3147 -8.1950 -8.1950 -5.9163 -5.9163 -5.9061 -5.9061 -1.1182 -1.1182 -0.2515 -0.2515 1.4398 1.4398 1.6082 1.6082 3.5043 3.5043 3.5524 3.5524 4.1125 4.1125 8.6825 8.6825 9.1517 9.1517 9.4695 9.4695 12.5763 12.5763 k = 0.8102-0.5281-1.1258 ( 2936 PWs) bands (ev): -9.0173 -9.0173 -8.9539 -8.9539 -8.8332 -8.8332 -8.8073 -8.8073 -8.5606 -8.5606 -8.4721 -8.4721 -8.3499 -8.3499 -8.3385 -8.3385 -8.3144 -8.3144 -8.1951 -8.1951 -5.9249 -5.9249 -5.9145 -5.9145 -1.1187 -1.1187 -0.2470 -0.2470 1.4685 1.4685 1.6303 1.6303 3.4916 3.4916 3.5673 3.5673 4.0911 4.0911 8.6790 8.6790 9.1464 9.1464 9.5052 9.5052 12.5345 12.5345 k = 0.8046-0.5165-1.1041 ( 2936 PWs) bands (ev): -9.0169 -9.0169 -8.9538 -8.9538 -8.8333 -8.8333 -8.8075 -8.8075 -8.5601 -8.5601 -8.4720 -8.4720 -8.3502 -8.3502 -8.3387 -8.3387 -8.3141 -8.3141 -8.1953 -8.1953 -5.9360 -5.9360 -5.9255 -5.9255 -1.1173 -1.1173 -0.2408 -0.2408 1.5035 1.5035 1.6584 1.6584 3.4761 3.4761 3.5670 3.5670 4.0849 4.0849 8.6792 8.6792 9.1452 9.1452 9.5400 9.5400 12.4880 12.4880 k = 0.7989-0.5048-1.0824 ( 2932 PWs) bands (ev): -9.0163 -9.0163 -8.9536 -8.9536 -8.8333 -8.8333 -8.8078 -8.8078 -8.5596 -8.5596 -8.4718 -8.4718 -8.3506 -8.3506 -8.3390 -8.3390 -8.3137 -8.3137 -8.1955 -8.1955 -5.9498 -5.9498 -5.9392 -5.9392 -1.1136 -1.1136 -0.2322 -0.2322 1.5442 1.5442 1.6920 1.6920 3.4581 3.4581 3.5502 3.5502 4.0952 4.0952 8.6832 8.6832 9.1477 9.1477 9.5736 9.5736 12.4381 12.4381 k = 0.7933-0.4931-1.0606 ( 2932 PWs) bands (ev): -9.0157 -9.0157 -8.9534 -8.9534 -8.8334 -8.8334 -8.8081 -8.8081 -8.5589 -8.5589 -8.4715 -8.4715 -8.3511 -8.3511 -8.3392 -8.3392 -8.3133 -8.3133 -8.1958 -8.1958 -5.9663 -5.9663 -5.9557 -5.9557 -1.1074 -1.1074 -0.2208 -0.2208 1.5901 1.5901 1.7307 1.7307 3.4376 3.4376 3.5185 3.5185 4.1207 4.1207 8.6915 8.6915 9.1535 9.1535 9.6058 9.6058 12.3859 12.3859 k = 0.7877-0.4814-1.0389 ( 2930 PWs) bands (ev): -9.0149 -9.0149 -8.9530 -8.9530 -8.8335 -8.8335 -8.8084 -8.8084 -8.5583 -8.5583 -8.4713 -8.4713 -8.3517 -8.3517 -8.3395 -8.3395 -8.3129 -8.3129 -8.1961 -8.1961 -5.9855 -5.9855 -5.9750 -5.9750 -1.0984 -1.0984 -0.2060 -0.2060 1.6407 1.6407 1.7743 1.7743 3.4146 3.4146 3.4755 3.4755 4.1579 4.1579 8.7040 8.7040 9.1622 9.1622 9.6363 9.6363 12.3325 12.3325 k = 0.7820-0.4697-1.0172 ( 2936 PWs) bands (ev): -9.0140 -9.0140 -8.9527 -8.9527 -8.8336 -8.8336 -8.8087 -8.8087 -8.5576 -8.5576 -8.4710 -8.4710 -8.3523 -8.3523 -8.3398 -8.3398 -8.3124 -8.3124 -8.1965 -8.1965 -6.0074 -6.0074 -5.9970 -5.9970 -1.0862 -1.0862 -0.1875 -0.1875 1.6955 1.6955 1.8224 1.8224 3.3890 3.3890 3.4249 3.4249 4.2038 4.2038 8.7211 8.7211 9.1733 9.1733 9.6650 9.6650 12.2785 12.2785 k = 0.7764-0.4580-0.9955 ( 2934 PWs) bands (ev): -9.0130 -9.0130 -8.9522 -8.9522 -8.8337 -8.8337 -8.8091 -8.8091 -8.5568 -8.5568 -8.4706 -8.4706 -8.3530 -8.3530 -8.3400 -8.3400 -8.3120 -8.3120 -8.1969 -8.1969 -6.0320 -6.0320 -6.0217 -6.0217 -1.0709 -1.0709 -0.1649 -0.1649 1.7542 1.7542 1.8746 1.8746 3.3582 3.3582 3.3723 3.3723 4.2556 4.2556 8.7426 8.7426 9.1865 9.1865 9.6918 9.6918 12.2246 12.2246 k = 0.7707-0.4464-0.9738 ( 2928 PWs) bands (ev): -9.0119 -9.0119 -8.9516 -8.9516 -8.8339 -8.8339 -8.8094 -8.8094 -8.5560 -8.5560 -8.4702 -8.4702 -8.3537 -8.3537 -8.3403 -8.3403 -8.3115 -8.3115 -8.1974 -8.1974 -6.0592 -6.0592 -6.0491 -6.0491 -1.0522 -1.0522 -0.1379 -0.1379 1.8164 1.8164 1.9307 1.9307 3.3066 3.3066 3.3353 3.3353 4.3116 4.3116 8.7687 8.7687 9.2014 9.2014 9.7165 9.7165 12.1713 12.1713 k = 0.7651-0.4347-0.9521 ( 2938 PWs) bands (ev): -9.0107 -9.0107 -8.9509 -8.9509 -8.8340 -8.8340 -8.8098 -8.8098 -8.5553 -8.5553 -8.4698 -8.4698 -8.3546 -8.3546 -8.3406 -8.3406 -8.3111 -8.3111 -8.1980 -8.1980 -6.0890 -6.0890 -6.0790 -6.0790 -1.0302 -1.0302 -0.1064 -0.1064 1.8816 1.8816 1.9902 1.9902 3.2466 3.2466 3.3032 3.3032 4.3707 4.3707 8.7992 8.7992 9.2175 9.2175 9.7390 9.7390 12.1190 12.1190 k = 0.7595-0.4230-0.9304 ( 2944 PWs) bands (ev): -9.0094 -9.0094 -8.9501 -8.9501 -8.8342 -8.8342 -8.8102 -8.8102 -8.5545 -8.5545 -8.4693 -8.4693 -8.3554 -8.3554 -8.3409 -8.3409 -8.3107 -8.3107 -8.1986 -8.1986 -6.1214 -6.1214 -6.1113 -6.1113 -1.0049 -1.0049 -0.0703 -0.0703 1.9496 1.9496 2.0528 2.0528 3.1856 3.1856 3.2698 3.2698 4.4319 4.4319 8.8340 8.8340 9.2344 9.2344 9.7594 9.7594 12.0678 12.0678 k = 0.7538-0.4113-0.9087 ( 2944 PWs) bands (ev): -9.0079 -9.0079 -8.9491 -8.9491 -8.8344 -8.8344 -8.8106 -8.8106 -8.5537 -8.5537 -8.4688 -8.4688 -8.3563 -8.3563 -8.3412 -8.3412 -8.3102 -8.3102 -8.1994 -8.1994 -6.1562 -6.1562 -6.1457 -6.1457 -0.9763 -0.9763 -0.0294 -0.0294 2.0200 2.0200 2.1182 2.1182 3.1249 3.1249 3.2349 3.2349 4.4947 4.4947 8.8728 8.8728 9.2517 9.2517 9.7777 9.7777 12.0181 12.0181 k = 0.7482-0.3996-0.8869 ( 2942 PWs) bands (ev): -9.0063 -9.0063 -8.9480 -8.9480 -8.8346 -8.8346 -8.8109 -8.8109 -8.5529 -8.5529 -8.4682 -8.4682 -8.3573 -8.3573 -8.3415 -8.3415 -8.3098 -8.3098 -8.2001 -8.2001 -6.1933 -6.1933 -6.1822 -6.1822 -0.9445 -0.9445 0.0162 0.0162 2.0926 2.0926 2.1860 2.1860 3.0654 3.0654 3.1987 3.1987 4.5586 4.5586 8.9155 8.9155 9.2692 9.2692 9.7941 9.7941 11.9697 11.9697 k = 0.7425-0.3879-0.8652 ( 2938 PWs) bands (ev): -9.0046 -9.0046 -8.9468 -8.9468 -8.8348 -8.8348 -8.8113 -8.8113 -8.5521 -8.5521 -8.4676 -8.4676 -8.3582 -8.3582 -8.3417 -8.3417 -8.3094 -8.3094 -8.2010 -8.2010 -6.2327 -6.2327 -6.2205 -6.2205 -0.9099 -0.9099 0.0665 0.0665 2.1670 2.1670 2.2557 2.2557 3.0080 3.0080 3.1614 3.1614 4.6232 4.6232 8.9616 8.9616 9.2865 9.2865 9.8087 9.8087 11.9228 11.9228 k = 0.7369-0.3763-0.8435 ( 2934 PWs) bands (ev): -9.0028 -9.0028 -8.9454 -8.9454 -8.8350 -8.8350 -8.8116 -8.8116 -8.5513 -8.5513 -8.4670 -8.4670 -8.3592 -8.3592 -8.3420 -8.3420 -8.3090 -8.3090 -8.2019 -8.2019 -6.2741 -6.2741 -6.2604 -6.2604 -0.8726 -0.8726 0.1216 0.1216 2.2430 2.2430 2.3267 2.3267 2.9537 2.9537 3.1230 3.1230 4.6883 4.6883 9.0106 9.0106 9.3033 9.3033 9.8220 9.8220 11.8770 11.8770 k = 0.7313-0.3646-0.8218 ( 2924 PWs) bands (ev): -9.0009 -9.0009 -8.9439 -8.9439 -8.8352 -8.8352 -8.8119 -8.8119 -8.5505 -8.5505 -8.4662 -8.4662 -8.3602 -8.3602 -8.3423 -8.3423 -8.3085 -8.3085 -8.2029 -8.2029 -6.3173 -6.3173 -6.3019 -6.3019 -0.8328 -0.8328 0.1812 0.1812 2.3202 2.3202 2.3980 2.3980 2.9036 2.9036 3.0840 3.0840 4.7536 4.7536 9.0620 9.0620 9.3196 9.3196 9.8344 9.8344 11.8322 11.8322 k = 0.7256-0.3529-0.8001 ( 2916 PWs) bands (ev): -8.9988 -8.9988 -8.9422 -8.9422 -8.8354 -8.8354 -8.8122 -8.8122 -8.5497 -8.5497 -8.4655 -8.4655 -8.3613 -8.3613 -8.3426 -8.3426 -8.3081 -8.3081 -8.2040 -8.2040 -6.3622 -6.3622 -6.3448 -6.3448 -0.7911 -0.7911 0.2452 0.2452 2.3982 2.3982 2.4681 2.4681 2.8598 2.8598 3.0446 3.0446 4.8189 4.8189 9.1149 9.1149 9.3350 9.3350 9.8465 9.8465 11.7880 11.7880 k = 0.7200-0.3412-0.7784 ( 2918 PWs) bands (ev): -8.9967 -8.9967 -8.9404 -8.9404 -8.8357 -8.8357 -8.8125 -8.8125 -8.5490 -8.5490 -8.4647 -8.4647 -8.3624 -8.3624 -8.3429 -8.3429 -8.3078 -8.3078 -8.2052 -8.2052 -6.4086 -6.4086 -6.3888 -6.3888 -0.7476 -0.7476 0.3135 0.3135 2.4761 2.4761 2.5335 2.5335 2.8263 2.8263 3.0052 3.0052 4.8839 4.8839 9.1684 9.1684 9.3497 9.3497 9.8593 9.8593 11.7439 11.7439 k = 0.7143-0.3295-0.7567 ( 2920 PWs) bands (ev): -8.9945 -8.9945 -8.9384 -8.9384 -8.8359 -8.8359 -8.8127 -8.8127 -8.5483 -8.5483 -8.4639 -8.4639 -8.3636 -8.3636 -8.3433 -8.3433 -8.3075 -8.3075 -8.2065 -8.2065 -6.4561 -6.4561 -6.4339 -6.4339 -0.7029 -0.7029 0.3860 0.3860 2.5503 2.5503 2.5888 2.5888 2.8121 2.8121 2.9664 2.9664 4.9485 4.9485 9.2211 9.2211 9.3635 9.3635 9.8737 9.8737 11.6996 11.6996 k = 0.7087-0.3179-0.7350 ( 2918 PWs) bands (ev): -8.9921 -8.9921 -8.9363 -8.9363 -8.8362 -8.8362 -8.8129 -8.8129 -8.5475 -8.5475 -8.4630 -8.4630 -8.3647 -8.3647 -8.3436 -8.3436 -8.3071 -8.3071 -8.2078 -8.2078 -6.5047 -6.5047 -6.4798 -6.4798 -0.6575 -0.6575 0.4623 0.4623 2.5952 2.5952 2.6462 2.6462 2.8295 2.8295 2.9293 2.9293 5.0126 5.0126 9.2715 9.2715 9.3765 9.3765 9.8913 9.8913 11.6543 11.6543 k = 0.7031-0.3062-0.7133 ( 2916 PWs) bands (ev): -8.9897 -8.9897 -8.9340 -8.9340 -8.8365 -8.8365 -8.8131 -8.8131 -8.5468 -8.5468 -8.4621 -8.4621 -8.3659 -8.3659 -8.3439 -8.3439 -8.3069 -8.3069 -8.2092 -8.2092 -6.5542 -6.5542 -6.5264 -6.5264 -0.6117 -0.6117 0.5421 0.5421 2.5975 2.5975 2.7168 2.7168 2.8750 2.8750 2.9003 2.9003 5.0759 5.0759 9.3176 9.3176 9.3890 9.3890 9.9136 9.9136 11.6075 11.6075 k = 0.6974-0.2945-0.6915 ( 2916 PWs) bands (ev): -8.9871 -8.9871 -8.9315 -8.9315 -8.8368 -8.8368 -8.8133 -8.8133 -8.5461 -8.5461 -8.4611 -8.4611 -8.3670 -8.3670 -8.3442 -8.3442 -8.3066 -8.3066 -8.2107 -8.2107 -6.6043 -6.6043 -6.5736 -6.5736 -0.5662 -0.5662 0.6253 0.6253 2.5850 2.5850 2.7731 2.7731 2.8796 2.8796 2.9481 2.9481 5.1383 5.1383 9.3573 9.3573 9.4011 9.4011 9.9424 9.9424 11.5583 11.5583 k = 0.6918-0.2828-0.6698 ( 2916 PWs) bands (ev): -8.9845 -8.9845 -8.9290 -8.9290 -8.8371 -8.8371 -8.8134 -8.8134 -8.5455 -8.5455 -8.4600 -8.4600 -8.3682 -8.3682 -8.3446 -8.3446 -8.3064 -8.3064 -8.2122 -8.2122 -6.6548 -6.6548 -6.6211 -6.6211 -0.5215 -0.5215 0.7115 0.7115 2.5701 2.5701 2.7778 2.7778 2.9194 2.9194 3.0222 3.0222 5.1997 5.1997 9.3885 9.3885 9.4135 9.4135 9.9791 9.9791 11.5059 11.5059 k = 0.6861-0.2711-0.6481 ( 2918 PWs) bands (ev): -8.9817 -8.9817 -8.9262 -8.9262 -8.8374 -8.8374 -8.8135 -8.8135 -8.5448 -8.5448 -8.4589 -8.4589 -8.3694 -8.3694 -8.3449 -8.3449 -8.3062 -8.3062 -8.2139 -8.2139 -6.7057 -6.7057 -6.6689 -6.6689 -0.4780 -0.4780 0.8002 0.8002 2.5577 2.5577 2.7523 2.7523 2.9904 2.9904 3.1004 3.1004 5.2598 5.2598 9.4095 9.4095 9.4268 9.4268 10.0244 10.0244 11.4502 11.4502 k = 0.6805-0.2594-0.6264 ( 2920 PWs) bands (ev): -8.9789 -8.9789 -8.9234 -8.9234 -8.8378 -8.8378 -8.8135 -8.8135 -8.5441 -8.5441 -8.4577 -8.4577 -8.3706 -8.3706 -8.3453 -8.3453 -8.3060 -8.3060 -8.2156 -8.2156 -6.7567 -6.7567 -6.7167 -6.7167 -0.4364 -0.4364 0.8909 0.8909 2.5502 2.5502 2.7218 2.7218 3.0679 3.0679 3.1805 3.1805 5.3186 5.3186 9.4218 9.4218 9.4397 9.4397 10.0782 10.0782 11.3929 11.3929 k = 0.6748-0.2478-0.6047 ( 2920 PWs) bands (ev): -8.9760 -8.9760 -8.9204 -8.9204 -8.8381 -8.8381 -8.8135 -8.8135 -8.5434 -8.5434 -8.4565 -8.4565 -8.3718 -8.3718 -8.3457 -8.3457 -8.3059 -8.3059 -8.2173 -8.2173 -6.8077 -6.8077 -6.7644 -6.7644 -0.3971 -0.3971 0.9831 0.9831 2.5488 2.5488 2.6919 2.6919 3.1469 3.1469 3.2613 3.2613 5.3759 5.3759 9.4268 9.4268 9.4513 9.4513 10.1395 10.1395 11.3361 11.3361 k = 0.6692-0.2361-0.5830 ( 2922 PWs) bands (ev): -8.9730 -8.9730 -8.9174 -8.9174 -8.8384 -8.8384 -8.8135 -8.8135 -8.5427 -8.5427 -8.4552 -8.4552 -8.3730 -8.3730 -8.3460 -8.3460 -8.3058 -8.3058 -8.2191 -8.2191 -6.8585 -6.8585 -6.8120 -6.8120 -0.3606 -0.3606 1.0760 1.0760 2.5541 2.5541 2.6645 2.6645 3.2259 3.2259 3.3421 3.3421 5.4316 5.4316 9.4238 9.4238 9.4634 9.4634 10.2068 10.2068 11.2812 11.2812 k = 0.6636-0.2244-0.5613 ( 2914 PWs) bands (ev): -8.9699 -8.9699 -8.9142 -8.9142 -8.8388 -8.8388 -8.8134 -8.8134 -8.5420 -8.5420 -8.4538 -8.4538 -8.3742 -8.3742 -8.3464 -8.3464 -8.3058 -8.3058 -8.2209 -8.2209 -6.9089 -6.9089 -6.8591 -6.8591 -0.3273 -0.3273 1.1688 1.1688 2.5667 2.5667 2.6409 2.6409 3.3043 3.3043 3.4226 3.4226 5.4856 5.4856 9.4131 9.4131 9.4771 9.4771 10.2784 10.2784 11.2284 11.2284 k = 0.6579-0.2127-0.5396 ( 2914 PWs) bands (ev): -8.9667 -8.9667 -8.9110 -8.9110 -8.8391 -8.8391 -8.8132 -8.8132 -8.5412 -8.5412 -8.4524 -8.4524 -8.3753 -8.3753 -8.3468 -8.3468 -8.3059 -8.3059 -8.2228 -8.2228 -6.9590 -6.9590 -6.9058 -6.9058 -0.2975 -0.2975 1.2602 1.2602 2.5863 2.5863 2.6230 2.6230 3.3818 3.3818 3.5022 3.5022 5.5378 5.5378 9.3953 9.3953 9.4925 9.4925 10.3528 10.3528 11.1762 11.1762 k = 0.6523-0.2010-0.5179 ( 2918 PWs) bands (ev): -8.9635 -8.9635 -8.9077 -8.9077 -8.8395 -8.8395 -8.8131 -8.8131 -8.5403 -8.5403 -8.4509 -8.4509 -8.3765 -8.3765 -8.3472 -8.3472 -8.3060 -8.3060 -8.2248 -8.2248 -7.0085 -7.0085 -6.9519 -6.9519 -0.2715 -0.2715 1.3488 1.3488 2.6030 2.6030 2.6224 2.6224 3.4579 3.4579 3.5808 3.5808 5.5880 5.5880 9.3713 9.3713 9.5097 9.5097 10.4282 10.4282 11.1223 11.1223 k = 0.6466-0.1894-0.4961 ( 2918 PWs) bands (ev): -8.9602 -8.9602 -8.9043 -8.9043 -8.8398 -8.8398 -8.8128 -8.8128 -8.5394 -8.5394 -8.4493 -8.4493 -8.3776 -8.3776 -8.3475 -8.3475 -8.3062 -8.3062 -8.2268 -8.2268 -7.0573 -7.0573 -6.9973 -6.9973 -0.2494 -0.2494 1.4329 1.4329 2.6023 2.6023 2.6552 2.6552 3.5326 3.5326 3.6580 3.6580 5.6361 5.6361 9.3415 9.3415 9.5288 9.5288 10.5033 10.5033 11.0653 11.0653 k = 0.6410-0.1777-0.4744 ( 2918 PWs) bands (ev): -8.9569 -8.9569 -8.9010 -8.9010 -8.8402 -8.8402 -8.8126 -8.8126 -8.5384 -8.5384 -8.4476 -8.4476 -8.3787 -8.3787 -8.3479 -8.3479 -8.3064 -8.3064 -8.2288 -8.2288 -7.1053 -7.1053 -7.0418 -7.0418 -0.2312 -0.2312 1.5103 1.5103 2.6086 2.6086 2.6991 2.6991 3.6056 3.6056 3.7336 3.7336 5.6822 5.6822 9.3062 9.3062 9.5499 9.5499 10.5765 10.5765 11.0053 11.0053 k = 0.6354-0.1660-0.4527 ( 2920 PWs) bands (ev): -8.9535 -8.9535 -8.8976 -8.8976 -8.8405 -8.8405 -8.8122 -8.8122 -8.5373 -8.5373 -8.4458 -8.4458 -8.3797 -8.3797 -8.3483 -8.3483 -8.3068 -8.3068 -8.2308 -8.2308 -7.1524 -7.1524 -7.0855 -7.0855 -0.2168 -0.2168 1.5789 1.5789 2.6268 2.6268 2.7510 2.7510 3.6766 3.6766 3.8072 3.8072 5.7261 5.7261 9.2656 9.2656 9.5730 9.5730 10.6462 10.6462 10.9433 10.9433 k = 0.6297-0.1543-0.4310 ( 2926 PWs) bands (ev): -8.9500 -8.9500 -8.8943 -8.8943 -8.8409 -8.8409 -8.8119 -8.8119 -8.5360 -8.5360 -8.4439 -8.4439 -8.3807 -8.3807 -8.3487 -8.3487 -8.3074 -8.3074 -8.2328 -8.2328 -7.1985 -7.1985 -7.1281 -7.1281 -0.2061 -0.2061 1.6367 1.6367 2.6589 2.6589 2.8104 2.8104 3.7456 3.7456 3.8788 3.8788 5.7677 5.7677 9.2200 9.2200 9.5979 9.5979 10.7103 10.7103 10.8810 10.8810 k = 0.6241-0.1426-0.4093 ( 2932 PWs) bands (ev): -8.9465 -8.9465 -8.8910 -8.8910 -8.8412 -8.8412 -8.8115 -8.8115 -8.5346 -8.5346 -8.4420 -8.4420 -8.3817 -8.3817 -8.3491 -8.3491 -8.3080 -8.3080 -8.2348 -8.2348 -7.2435 -7.2435 -7.1696 -7.1696 -0.1988 -0.1988 1.6823 1.6823 2.7062 2.7062 2.8768 2.8768 3.8123 3.8123 3.9481 3.9481 5.8071 5.8071 9.1695 9.1695 9.6243 9.6243 10.7590 10.7590 10.8276 10.8276 k = 0.6184-0.1309-0.3876 ( 2930 PWs) bands (ev): -8.9430 -8.9430 -8.8878 -8.8878 -8.8416 -8.8416 -8.8111 -8.8111 -8.5329 -8.5329 -8.4399 -8.4399 -8.3826 -8.3826 -8.3495 -8.3495 -8.3088 -8.3088 -8.2368 -8.2368 -7.2873 -7.2873 -7.2098 -7.2098 -0.1948 -0.1948 1.7157 1.7157 2.7688 2.7688 2.9496 2.9496 3.8766 3.8766 4.0148 4.0148 5.8442 5.8442 9.1143 9.1143 9.6517 9.6517 10.7344 10.7344 10.8410 10.8410 k = 0.6128-0.1193-0.3659 ( 2920 PWs) bands (ev): -8.9394 -8.9394 -8.8846 -8.8846 -8.8419 -8.8419 -8.8107 -8.8107 -8.5311 -8.5311 -8.4378 -8.4378 -8.3835 -8.3835 -8.3499 -8.3499 -8.3098 -8.3098 -8.2387 -8.2387 -7.3299 -7.3299 -7.2488 -7.2488 -0.1935 -0.1935 1.7378 1.7378 2.8454 2.8454 3.0282 3.0282 3.9384 3.9384 4.0790 4.0790 5.8789 5.8789 9.0544 9.0544 9.6791 9.6791 10.6740 10.6740 10.8844 10.8844 k = 0.6072-0.1076-0.3442 ( 2926 PWs) bands (ev): -8.9358 -8.9358 -8.8816 -8.8816 -8.8422 -8.8422 -8.8102 -8.8102 -8.5289 -8.5289 -8.4356 -8.4356 -8.3843 -8.3843 -8.3504 -8.3504 -8.3110 -8.3110 -8.2407 -8.2407 -7.3711 -7.3711 -7.2865 -7.2865 -0.1948 -0.1948 1.7503 1.7503 2.9341 2.9341 3.1120 3.1120 3.9975 3.9975 4.1403 4.1403 5.9113 5.9113 8.9901 8.9901 9.7051 9.7051 10.6123 10.6123 10.9249 10.9249 k = 0.6015-0.0959-0.3225 ( 2922 PWs) bands (ev): -8.9322 -8.9322 -8.8786 -8.8786 -8.8426 -8.8426 -8.8098 -8.8098 -8.5265 -8.5265 -8.4333 -8.4333 -8.3851 -8.3851 -8.3508 -8.3508 -8.3124 -8.3124 -8.2425 -8.2425 -7.4109 -7.4109 -7.3227 -7.3227 -0.1981 -0.1981 1.7551 1.7551 3.0329 3.0329 3.2003 3.2003 4.0538 4.0538 4.1987 4.1987 5.9415 5.9415 8.9216 8.9216 9.7275 9.7275 10.5541 10.5541 10.9601 10.9601 k = 0.5959-0.0842-0.3007 ( 2924 PWs) bands (ev): -8.9286 -8.9286 -8.8758 -8.8758 -8.8429 -8.8429 -8.8095 -8.8095 -8.5238 -8.5238 -8.4309 -8.4309 -8.3858 -8.3858 -8.3513 -8.3513 -8.3140 -8.3140 -8.2443 -8.2443 -7.4492 -7.4492 -7.3573 -7.3573 -0.2032 -0.2032 1.7542 1.7542 3.1394 3.1394 3.2923 3.2923 4.1073 4.1073 4.2541 4.2541 5.9693 5.9693 8.8492 8.8492 9.7435 9.7435 10.5027 10.5027 10.9895 10.9895 k = 0.5902-0.0725-0.2790 ( 2922 PWs) bands (ev): -8.9249 -8.9249 -8.8730 -8.8730 -8.8432 -8.8432 -8.8091 -8.8091 -8.5208 -8.5208 -8.4284 -8.4284 -8.3865 -8.3865 -8.3518 -8.3518 -8.3159 -8.3159 -8.2460 -8.2460 -7.4859 -7.4859 -7.3904 -7.3904 -0.2098 -0.2098 1.7490 1.7490 3.2517 3.2517 3.3874 3.3874 4.1579 4.1579 4.3064 4.3064 5.9950 5.9950 8.7730 8.7730 9.7493 9.7493 10.4619 10.4619 11.0124 11.0124 k = 0.5846-0.0608-0.2573 ( 2926 PWs) bands (ev): -8.9214 -8.9214 -8.8704 -8.8704 -8.8436 -8.8436 -8.8089 -8.8089 -8.5174 -8.5174 -8.4259 -8.4259 -8.3872 -8.3872 -8.3523 -8.3523 -8.3181 -8.3181 -8.2476 -8.2476 -7.5210 -7.5210 -7.4219 -7.4219 -0.2174 -0.2174 1.7409 1.7409 3.3683 3.3683 3.4847 3.4847 4.2055 4.2055 4.3555 4.3555 6.0184 6.0184 8.6935 8.6935 9.7411 9.7411 10.4356 10.4356 11.0280 11.0280 k = 0.5790-0.0492-0.2356 ( 2926 PWs) bands (ev): -8.9178 -8.9178 -8.8679 -8.8679 -8.8439 -8.8439 -8.8088 -8.8088 -8.5135 -8.5135 -8.4233 -8.4233 -8.3879 -8.3879 -8.3528 -8.3528 -8.3206 -8.3206 -8.2491 -8.2491 -7.5543 -7.5543 -7.4516 -7.4516 -0.2259 -0.2259 1.7310 1.7310 3.4875 3.4875 3.5834 3.5834 4.2500 4.2500 4.4013 4.4013 6.0398 6.0398 8.6110 8.6110 9.7163 9.7163 10.4263 10.4263 11.0360 11.0360 k = 0.5733-0.0375-0.2139 ( 2928 PWs) bands (ev): -8.9144 -8.9144 -8.8656 -8.8656 -8.8442 -8.8442 -8.8089 -8.8089 -8.5093 -8.5093 -8.4207 -8.4207 -8.3886 -8.3886 -8.3534 -8.3534 -8.3234 -8.3234 -8.2505 -8.2505 -7.5858 -7.5858 -7.4796 -7.4796 -0.2348 -0.2348 1.7199 1.7199 3.6082 3.6082 3.6826 3.6826 4.2916 4.2916 4.4439 4.4439 6.0591 6.0591 8.5260 8.5260 9.6751 9.6751 10.4339 10.4339 11.0366 11.0366 k = 0.5677-0.0258-0.1922 ( 2932 PWs) bands (ev): -8.9110 -8.9110 -8.8633 -8.8633 -8.8445 -8.8445 -8.8091 -8.8091 -8.5047 -8.5047 -8.4181 -8.4181 -8.3892 -8.3892 -8.3540 -8.3540 -8.3265 -8.3265 -8.2517 -8.2517 -7.6154 -7.6154 -7.5058 -7.5058 -0.2440 -0.2440 1.7082 1.7082 3.7290 3.7290 3.7815 3.7815 4.3301 4.3301 4.4833 4.4833 6.0765 6.0765 8.4391 8.4391 9.6201 9.6201 10.4558 10.4558 11.0307 11.0307 k = 0.5620-0.0141-0.1705 ( 2928 PWs) bands (ev): -8.9078 -8.9078 -8.8611 -8.8611 -8.8448 -8.8448 -8.8094 -8.8094 -8.4997 -8.4997 -8.4155 -8.4155 -8.3898 -8.3898 -8.3546 -8.3546 -8.3299 -8.3299 -8.2529 -8.2529 -7.6430 -7.6430 -7.5301 -7.5301 -0.2532 -0.2532 1.6965 1.6965 3.8486 3.8486 3.8791 3.8791 4.3656 4.3656 4.5194 4.5194 6.0919 6.0919 8.3510 8.3510 9.5552 9.5552 10.4884 10.4884 11.0196 11.0196 k = 0.5564-0.0024-0.1488 ( 2924 PWs) bands (ev): -8.9046 -8.9046 -8.8589 -8.8589 -8.8451 -8.8451 -8.8100 -8.8100 -8.4942 -8.4942 -8.4129 -8.4129 -8.3905 -8.3905 -8.3552 -8.3552 -8.3335 -8.3335 -8.2539 -8.2539 -7.6686 -7.6686 -7.5524 -7.5524 -0.2622 -0.2622 1.6850 1.6850 3.9650 3.9650 3.9752 3.9752 4.3981 4.3981 4.5523 4.5523 6.1057 6.1057 8.2626 8.2626 9.4840 9.4840 10.5279 10.5279 11.0050 11.0050 k = 0.5508 0.0092-0.1271 ( 2932 PWs) bands (ev): -8.9017 -8.9017 -8.8568 -8.8568 -8.8454 -8.8454 -8.8107 -8.8107 -8.4885 -8.4885 -8.4104 -8.4104 -8.3913 -8.3913 -8.3559 -8.3559 -8.3374 -8.3374 -8.2548 -8.2548 -7.6921 -7.6921 -7.5728 -7.5728 -0.2709 -0.2709 1.6740 1.6740 4.0640 4.0640 4.0816 4.0816 4.4278 4.4278 4.5820 4.5820 6.1177 6.1177 8.1748 8.1748 9.4099 9.4099 10.5714 10.5714 10.9883 10.9883 k = 0.5451 0.0209-0.1053 ( 2932 PWs) bands (ev): -8.8990 -8.8990 -8.8548 -8.8548 -8.8456 -8.8456 -8.8116 -8.8116 -8.4824 -8.4824 -8.4080 -8.4080 -8.3922 -8.3922 -8.3567 -8.3567 -8.3414 -8.3414 -8.2556 -8.2556 -7.7133 -7.7133 -7.5912 -7.5912 -0.2790 -0.2790 1.6638 1.6638 4.1510 4.1510 4.1899 4.1899 4.4548 4.4548 4.6085 4.6085 6.1281 6.1281 8.0891 8.0891 9.3357 9.3357 10.6159 10.6159 10.9710 10.9710 k = 0.5395 0.0326-0.0836 ( 2928 PWs) bands (ev): -8.8965 -8.8965 -8.8528 -8.8528 -8.8459 -8.8459 -8.8126 -8.8126 -8.4760 -8.4760 -8.4058 -8.4058 -8.3932 -8.3932 -8.3575 -8.3575 -8.3454 -8.3454 -8.2562 -8.2562 -7.7323 -7.7323 -7.6075 -7.6075 -0.2865 -0.2865 1.6545 1.6545 4.2315 4.2315 4.2917 4.2917 4.4795 4.4795 4.6320 4.6320 6.1370 6.1370 8.0068 8.0068 9.2639 9.2639 10.6591 10.6591 10.9545 10.9545 k = 0.5338 0.0443-0.0619 ( 2926 PWs) bands (ev): -8.8942 -8.8942 -8.8509 -8.8509 -8.8461 -8.8461 -8.8138 -8.8138 -8.4695 -8.4695 -8.4038 -8.4038 -8.3945 -8.3945 -8.3582 -8.3582 -8.3493 -8.3493 -8.2568 -8.2568 -7.7489 -7.7489 -7.6217 -7.6217 -0.2932 -0.2932 1.6462 1.6462 4.3043 4.3043 4.3841 4.3841 4.5028 4.5028 4.6527 4.6527 6.1444 6.1444 7.9295 7.9295 9.1968 9.1968 10.6987 10.6987 10.9403 10.9403 k = 0.5282 0.0560-0.0402 ( 2924 PWs) bands (ev): -8.8923 -8.8923 -8.8490 -8.8490 -8.8462 -8.8462 -8.8150 -8.8150 -8.4629 -8.4629 -8.4020 -8.4020 -8.3962 -8.3962 -8.3591 -8.3591 -8.3529 -8.3529 -8.2573 -8.2573 -7.7630 -7.7630 -7.6338 -7.6338 -0.2991 -0.2991 1.6390 1.6390 4.3677 4.3677 4.4622 4.4622 4.5276 4.5276 4.6708 4.6708 6.1506 6.1506 7.8591 7.8591 9.1361 9.1361 10.7326 10.7326 10.9297 10.9297 k = 0.5226 0.0677-0.0185 ( 2918 PWs) bands (ev): -8.8907 -8.8907 -8.8474 -8.8474 -8.8463 -8.8463 -8.8163 -8.8163 -8.4565 -8.4565 -8.4006 -8.4006 -8.3982 -8.3982 -8.3598 -8.3598 -8.3560 -8.3560 -8.2577 -8.2577 -7.7747 -7.7747 -7.6438 -7.6438 -0.3040 -0.3040 1.6330 1.6330 4.4201 4.4201 4.5144 4.5144 4.5638 4.5638 4.6869 4.6869 6.1554 6.1554 7.7976 7.7976 9.0838 9.0838 10.7588 10.7588 10.9239 10.9239 k = 0.5169 0.0793 0.0032 ( 2924 PWs) bands (ev): -8.8894 -8.8894 -8.8467 -8.8467 -8.8456 -8.8456 -8.8175 -8.8175 -8.4504 -8.4504 -8.4011 -8.4011 -8.3990 -8.3990 -8.3606 -8.3606 -8.3584 -8.3584 -8.2580 -8.2580 -7.7839 -7.7839 -7.6515 -7.6515 -0.3078 -0.3078 1.6283 1.6283 4.4596 4.4596 4.5410 4.5410 4.6084 4.6084 4.7023 4.7023 6.1591 6.1591 7.7470 7.7470 9.0413 9.0413 10.7764 10.7764 10.9230 10.9230 k = 0.5113 0.0910 0.0249 ( 2928 PWs) bands (ev): -8.8885 -8.8885 -8.8468 -8.8468 -8.8445 -8.8445 -8.8185 -8.8185 -8.4451 -8.4451 -8.4037 -8.4037 -8.3983 -8.3983 -8.3612 -8.3612 -8.3601 -8.3601 -8.2582 -8.2582 -7.7904 -7.7904 -7.6571 -7.6571 -0.3106 -0.3106 1.6249 1.6249 4.4855 4.4855 4.5590 4.5590 4.6417 4.6417 4.7175 4.7175 6.1617 6.1617 7.7093 7.7093 9.0099 9.0099 10.7864 10.7864 10.9255 10.9255 k = 0.5056 0.1027 0.0466 ( 2930 PWs) bands (ev): -8.8879 -8.8879 -8.8468 -8.8468 -8.8437 -8.8437 -8.8191 -8.8191 -8.4413 -8.4413 -8.4059 -8.4059 -8.3979 -8.3979 -8.3617 -8.3617 -8.3610 -8.3610 -8.2584 -8.2584 -7.7944 -7.7944 -7.6604 -7.6604 -0.3123 -0.3123 1.6229 1.6229 4.4994 4.4994 4.5712 4.5712 4.6592 4.6592 4.7303 4.7303 6.1633 6.1633 7.6859 7.6859 8.9907 8.9907 10.7910 10.7910 10.9286 10.9286 k = 0.5000 0.1144 0.0683 ( 2930 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8194 -8.8194 -8.4399 -8.4399 -8.4068 -8.4068 -8.3977 -8.3977 -8.3619 -8.3619 -8.3612 -8.3612 -8.2584 -8.2584 -7.7957 -7.7957 -7.6615 -7.6615 -0.3129 -0.3129 1.6222 1.6222 4.5038 4.5038 4.5756 4.5756 4.6643 4.6643 4.7355 4.7355 6.1638 6.1638 7.6780 7.6780 8.9842 8.9842 10.7922 10.7922 10.9300 10.9300 k = 0.5000 0.1144 0.0683 ( 2930 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8194 -8.8194 -8.4399 -8.4399 -8.4068 -8.4068 -8.3977 -8.3977 -8.3619 -8.3619 -8.3612 -8.3612 -8.2584 -8.2584 -7.7957 -7.7957 -7.6615 -7.6615 -0.3129 -0.3129 1.6222 1.6222 4.5038 4.5038 4.5756 4.5756 4.6643 4.6643 4.7355 4.7355 6.1638 6.1638 7.6780 7.6780 8.9842 8.9842 10.7922 10.7922 10.9300 10.9300 k = 0.4762 0.1089 0.0651 ( 2930 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8194 -8.8194 -8.4399 -8.4399 -8.4067 -8.4067 -8.3977 -8.3977 -8.3621 -8.3621 -8.3610 -8.3610 -8.2584 -8.2584 -7.7978 -7.7978 -7.6594 -7.6594 -0.3159 -0.3159 1.6278 1.6278 4.5040 4.5040 4.5759 4.5759 4.6641 4.6641 4.7352 4.7352 6.1547 6.1547 7.6844 7.6844 8.9849 8.9849 10.7916 10.7916 10.9293 10.9293 k = 0.4524 0.1035 0.0618 ( 2936 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8194 -8.8194 -8.4399 -8.4399 -8.4066 -8.4066 -8.3977 -8.3977 -8.3623 -8.3623 -8.3607 -8.3607 -8.2584 -8.2584 -7.8036 -7.8036 -7.6535 -7.6535 -0.3247 -0.3247 1.6443 1.6443 4.5046 4.5046 4.5765 4.5765 4.6634 4.6634 4.7346 4.7346 6.1279 6.1279 7.7029 7.7029 8.9868 8.9868 10.7897 10.7897 10.9273 10.9273 k = 0.4286 0.0980 0.0586 ( 2924 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8192 -8.8192 -8.4400 -8.4400 -8.4063 -8.4063 -8.3977 -8.3977 -8.3626 -8.3626 -8.3602 -8.3602 -8.2584 -8.2584 -7.8122 -7.8122 -7.6446 -7.6446 -0.3390 -0.3390 1.6714 1.6714 4.5057 4.5057 4.5776 4.5776 4.6623 4.6623 4.7335 4.7335 6.0851 6.0851 7.7321 7.7321 8.9901 8.9901 10.7867 10.7867 10.9240 10.9240 k = 0.4048 0.0926 0.0553 ( 2920 PWs) bands (ev): -8.8879 -8.8879 -8.8467 -8.8467 -8.8434 -8.8434 -8.8192 -8.8192 -8.4400 -8.4400 -8.4060 -8.4060 -8.3976 -8.3976 -8.3628 -8.3628 -8.3598 -8.3598 -8.2584 -8.2584 -7.8227 -7.8227 -7.6337 -7.6337 -0.3581 -0.3581 1.7083 1.7083 4.5072 4.5072 4.5790 4.5790 4.6607 4.6607 4.7320 4.7320 6.0283 6.0283 7.7697 7.7697 8.9947 8.9947 10.7825 10.7825 10.9196 10.9196 k = 0.3810 0.0872 0.0521 ( 2917 PWs) bands (ev): -8.8879 -8.8879 -8.8467 -8.8467 -8.8434 -8.8434 -8.8191 -8.8191 -8.4401 -8.4401 -8.4055 -8.4055 -8.3976 -8.3976 -8.3631 -8.3631 -8.3593 -8.3593 -8.2584 -8.2584 -7.8344 -7.8344 -7.6216 -7.6216 -0.3811 -0.3811 1.7540 1.7540 4.5091 4.5091 4.5809 4.5809 4.6587 4.6587 4.7301 4.7301 5.9600 5.9600 7.8135 7.8135 9.0006 9.0006 10.7774 10.7774 10.9142 10.9142 k = 0.3571 0.0817 0.0488 ( 2920 PWs) bands (ev): -8.8880 -8.8880 -8.8467 -8.8467 -8.8434 -8.8434 -8.8189 -8.8189 -8.4402 -8.4402 -8.4050 -8.4050 -8.3976 -8.3976 -8.3633 -8.3633 -8.3587 -8.3587 -8.2584 -8.2584 -7.8466 -7.8466 -7.6089 -7.6089 -0.4073 -0.4073 1.8075 1.8075 4.5114 4.5114 4.5832 4.5832 4.6562 4.6562 4.7277 4.7277 5.8826 5.8826 7.8613 7.8613 9.0078 9.0078 10.7715 10.7715 10.9079 10.9079 k = 0.3333 0.0763 0.0456 ( 2908 PWs) bands (ev): -8.8881 -8.8881 -8.8467 -8.8467 -8.8433 -8.8433 -8.8188 -8.8188 -8.4402 -8.4402 -8.4044 -8.4044 -8.3975 -8.3975 -8.3635 -8.3635 -8.3581 -8.3581 -8.2584 -8.2584 -7.8590 -7.8590 -7.5959 -7.5959 -0.4357 -0.4357 1.8678 1.8678 4.5141 4.5141 4.5858 4.5858 4.6534 4.6534 4.7250 4.7250 5.7981 5.7981 7.9109 7.9109 9.0164 9.0164 10.7649 10.7649 10.9010 10.9010 k = 0.3095 0.0708 0.0423 ( 2908 PWs) bands (ev): -8.8882 -8.8882 -8.8467 -8.8467 -8.8433 -8.8433 -8.8186 -8.8186 -8.4403 -8.4403 -8.4038 -8.4038 -8.3975 -8.3975 -8.3637 -8.3637 -8.3574 -8.3574 -8.2584 -8.2584 -7.8714 -7.8714 -7.5829 -7.5829 -0.4655 -0.4655 1.9337 1.9337 4.5171 4.5171 4.5888 4.5888 4.6502 4.6502 4.7220 4.7220 5.7085 5.7085 7.9609 7.9609 9.0261 9.0261 10.7579 10.7579 10.8936 10.8936 k = 0.2857 0.0654 0.0391 ( 2905 PWs) bands (ev): -8.8882 -8.8882 -8.8467 -8.8467 -8.8433 -8.8433 -8.8185 -8.8185 -8.4405 -8.4405 -8.4031 -8.4031 -8.3975 -8.3975 -8.3639 -8.3639 -8.3568 -8.3568 -8.2584 -8.2584 -7.8834 -7.8834 -7.5703 -7.5703 -0.4959 -0.4959 2.0040 2.0040 4.5205 4.5205 4.5921 4.5921 4.6465 4.6465 4.7185 4.7185 5.6155 5.6155 8.0097 8.0097 9.0371 9.0371 10.7506 10.7506 10.8859 10.8859 k = 0.2619 0.0599 0.0358 ( 2908 PWs) bands (ev): -8.8883 -8.8883 -8.8467 -8.8467 -8.8433 -8.8433 -8.8183 -8.8183 -8.4406 -8.4406 -8.4024 -8.4024 -8.3975 -8.3975 -8.3640 -8.3640 -8.3561 -8.3561 -8.2584 -8.2584 -7.8950 -7.8950 -7.5581 -7.5581 -0.5262 -0.5262 2.0775 2.0775 4.5242 4.5242 4.5958 4.5958 4.6426 4.6426 4.7148 4.7148 5.5205 5.5205 8.0564 8.0564 9.0490 9.0490 10.7432 10.7432 10.8781 10.8781 k = 0.2381 0.0545 0.0325 ( 2908 PWs) bands (ev): -8.8884 -8.8884 -8.8467 -8.8467 -8.8433 -8.8433 -8.8182 -8.8182 -8.4407 -8.4407 -8.4018 -8.4018 -8.3975 -8.3975 -8.3642 -8.3642 -8.3554 -8.3554 -8.2585 -8.2585 -7.9059 -7.9059 -7.5465 -7.5465 -0.5557 -0.5557 2.1530 2.1530 4.5282 4.5282 4.5997 4.5997 4.6383 4.6383 4.7107 4.7107 5.4252 5.4252 8.1001 8.1001 9.0618 9.0618 10.7359 10.7359 10.8703 10.8703 k = 0.2143 0.0490 0.0293 ( 2902 PWs) bands (ev): -8.8885 -8.8885 -8.8467 -8.8467 -8.8433 -8.8433 -8.8180 -8.8180 -8.4408 -8.4408 -8.4011 -8.4011 -8.3975 -8.3975 -8.3643 -8.3643 -8.3547 -8.3547 -8.2585 -8.2585 -7.9162 -7.9162 -7.5357 -7.5357 -0.5839 -0.5839 2.2293 2.2293 4.5324 4.5324 4.6040 4.6040 4.6337 4.6337 4.7064 4.7064 5.3308 5.3308 8.1402 8.1402 9.0752 9.0752 10.7287 10.7287 10.8628 10.8628 k = 0.1905 0.0436 0.0260 ( 2896 PWs) bands (ev): -8.8886 -8.8886 -8.8466 -8.8466 -8.8433 -8.8433 -8.8178 -8.8178 -8.4409 -8.4409 -8.4004 -8.4004 -8.3974 -8.3974 -8.3644 -8.3644 -8.3540 -8.3540 -8.2585 -8.2585 -7.9256 -7.9256 -7.5257 -7.5257 -0.6103 -0.6103 2.3050 2.3050 4.5368 4.5368 4.6084 4.6084 4.6288 4.6288 4.7019 4.7019 5.2389 5.2389 8.1763 8.1763 9.0888 9.0888 10.7220 10.7220 10.8557 10.8557 k = 0.1667 0.0381 0.0228 ( 2902 PWs) bands (ev): -8.8887 -8.8887 -8.8467 -8.8467 -8.8434 -8.8434 -8.8177 -8.8177 -8.4410 -8.4410 -8.3999 -8.3999 -8.3974 -8.3974 -8.3645 -8.3645 -8.3533 -8.3533 -8.2585 -8.2585 -7.9341 -7.9341 -7.5166 -7.5166 -0.6345 -0.6345 2.3785 2.3785 4.5414 4.5414 4.6130 4.6130 4.6238 4.6238 4.6972 4.6972 5.1511 5.1511 8.2081 8.2081 9.1023 9.1023 10.7157 10.7157 10.8492 10.8492 k = 0.1429 0.0327 0.0195 ( 2902 PWs) bands (ev): -8.8888 -8.8888 -8.8467 -8.8467 -8.8434 -8.8434 -8.8175 -8.8175 -8.4411 -8.4411 -8.3993 -8.3993 -8.3974 -8.3974 -8.3646 -8.3646 -8.3527 -8.3527 -8.2585 -8.2585 -7.9417 -7.9417 -7.5086 -7.5086 -0.6561 -0.6561 2.4484 2.4484 4.5459 4.5459 4.6178 4.6178 4.6187 4.6187 4.6923 4.6923 5.0690 5.0690 8.2355 8.2355 9.1152 9.1152 10.7101 10.7101 10.8432 10.8432 k = 0.1190 0.0272 0.0163 ( 2902 PWs) bands (ev): -8.8889 -8.8889 -8.8467 -8.8467 -8.8434 -8.8434 -8.8174 -8.8174 -8.4412 -8.4412 -8.3989 -8.3989 -8.3974 -8.3974 -8.3646 -8.3646 -8.3521 -8.3521 -8.2585 -8.2585 -7.9482 -7.9482 -7.5018 -7.5018 -0.6748 -0.6748 2.5126 2.5126 4.5503 4.5503 4.6135 4.6135 4.6226 4.6226 4.6875 4.6875 4.9945 4.9945 8.2586 8.2586 9.1270 9.1270 10.7051 10.7051 10.8380 10.8380 k = 0.0952 0.0218 0.0130 ( 2896 PWs) bands (ev): -8.8890 -8.8890 -8.8466 -8.8466 -8.8434 -8.8434 -8.8173 -8.8173 -8.4413 -8.4413 -8.3985 -8.3985 -8.3974 -8.3974 -8.3647 -8.3647 -8.3516 -8.3516 -8.2585 -8.2585 -7.9536 -7.9536 -7.4960 -7.4960 -0.6904 -0.6904 2.5694 2.5694 4.5545 4.5545 4.6085 4.6085 4.6273 4.6273 4.6827 4.6827 4.9297 4.9297 8.2772 8.2772 9.1374 9.1374 10.7010 10.7010 10.8337 10.8337 k = 0.0714 0.0163 0.0098 ( 2899 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8172 -8.8172 -8.4413 -8.4413 -8.3982 -8.3982 -8.3974 -8.3974 -8.3647 -8.3647 -8.3512 -8.3512 -8.2585 -8.2585 -7.9579 -7.9579 -7.4915 -7.4915 -0.7028 -0.7028 2.6164 2.6164 4.5581 4.5581 4.6041 4.6041 4.6318 4.6318 4.6781 4.6781 4.8766 4.8766 8.2916 8.2916 9.1460 9.1460 10.6977 10.6977 10.8302 10.8302 k = 0.0476 0.0109 0.0065 ( 2893 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8172 -8.8172 -8.4413 -8.4413 -8.3979 -8.3979 -8.3973 -8.3973 -8.3647 -8.3647 -8.3509 -8.3509 -8.2585 -8.2585 -7.9609 -7.9609 -7.4883 -7.4883 -0.7117 -0.7117 2.6519 2.6519 4.5608 4.5608 4.6005 4.6005 4.6358 4.6358 4.6741 4.6741 4.8370 4.8370 8.3018 8.3018 9.1524 9.1524 10.6953 10.6953 10.8277 10.8277 k = 0.0238 0.0054 0.0033 ( 2893 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8171 -8.8171 -8.4414 -8.4414 -8.3978 -8.3978 -8.3973 -8.3973 -8.3647 -8.3647 -8.3507 -8.3507 -8.2585 -8.2585 -7.9628 -7.9628 -7.4863 -7.4863 -0.7171 -0.7171 2.6740 2.6740 4.5624 4.5624 4.5982 4.5982 4.6387 4.6387 4.6712 4.6712 4.8126 4.8126 8.3079 8.3079 9.1563 9.1563 10.6938 10.6938 10.8262 10.8262 k = 0.0000 0.0000 0.0000 ( 2899 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8171 -8.8171 -8.4414 -8.4414 -8.3977 -8.3977 -8.3973 -8.3973 -8.3648 -8.3648 -8.3506 -8.3506 -8.2585 -8.2585 -7.9634 -7.9634 -7.4857 -7.4857 -0.7189 -0.7189 2.6815 2.6815 4.5629 4.5629 4.5974 4.5974 4.6397 4.6397 4.6701 4.6701 4.8044 4.8044 8.3099 8.3099 9.1576 9.1576 10.6933 10.6933 10.8257 10.8257 k = 0.0000 0.0000 0.0000 ( 2899 PWs) bands (ev): -8.8891 -8.8891 -8.8466 -8.8466 -8.8434 -8.8434 -8.8171 -8.8171 -8.4414 -8.4414 -8.3977 -8.3977 -8.3973 -8.3973 -8.3648 -8.3648 -8.3506 -8.3506 -8.2585 -8.2585 -7.9634 -7.9634 -7.4857 -7.4857 -0.7189 -0.7189 2.6815 2.6815 4.5629 4.5629 4.5974 4.5974 4.6397 4.6397 4.6701 4.6701 4.8044 4.8044 8.3099 8.3099 9.1576 9.1576 10.6933 10.6933 10.8257 10.8257 k = 0.0057-0.0117-0.0218 ( 2893 PWs) bands (ev): -8.8893 -8.8893 -8.8466 -8.8466 -8.8436 -8.8436 -8.8169 -8.8169 -8.4423 -8.4423 -8.3977 -8.3977 -8.3974 -8.3974 -8.3644 -8.3644 -8.3504 -8.3504 -8.2585 -8.2585 -7.9620 -7.9620 -7.4846 -7.4846 -0.7180 -0.7180 2.6806 2.6806 4.5576 4.5576 4.5891 4.5891 4.6360 4.6360 4.6601 4.6601 4.8164 4.8164 8.3156 8.3156 9.1640 9.1640 10.6916 10.6916 10.8239 10.8239 k = 0.0113-0.0234-0.0435 ( 2897 PWs) bands (ev): -8.8899 -8.8899 -8.8466 -8.8466 -8.8442 -8.8442 -8.8165 -8.8165 -8.4451 -8.4451 -8.3984 -8.3984 -8.3967 -8.3967 -8.3635 -8.3635 -8.3495 -8.3495 -8.2584 -8.2584 -7.9576 -7.9576 -7.4813 -7.4813 -0.7154 -0.7154 2.6778 2.6778 4.5371 4.5371 4.5652 4.5652 4.6253 4.6253 4.6431 4.6431 4.8430 4.8430 8.3323 8.3323 9.1830 9.1830 10.6850 10.6850 10.8201 10.8201 k = 0.0170-0.0351-0.0653 ( 2897 PWs) bands (ev): -8.8908 -8.8908 -8.8466 -8.8466 -8.8452 -8.8452 -8.8157 -8.8157 -8.4491 -8.4491 -8.3997 -8.3997 -8.3957 -8.3957 -8.3621 -8.3621 -8.3481 -8.3481 -8.2581 -8.2581 -7.9505 -7.9505 -7.4758 -7.4758 -0.7111 -0.7111 2.6731 2.6731 4.4912 4.4912 4.5357 4.5357 4.6099 4.6099 4.6292 4.6292 4.8729 4.8729 8.3595 8.3595 9.2140 9.2140 10.6705 10.6705 10.8179 10.8179 k = 0.0226-0.0468-0.0871 ( 2901 PWs) bands (ev): -8.8920 -8.8920 -8.8470 -8.8470 -8.8461 -8.8461 -8.8148 -8.8148 -8.4541 -8.4541 -8.4013 -8.4013 -8.3948 -8.3948 -8.3607 -8.3607 -8.3461 -8.3461 -8.2578 -8.2578 -7.9406 -7.9406 -7.4682 -7.4682 -0.7051 -0.7051 2.6662 2.6662 4.4260 4.4260 4.4999 4.4999 4.5926 4.5926 4.6161 4.6161 4.9021 4.9021 8.3960 8.3960 9.2562 9.2562 10.6450 10.6450 10.8209 10.8209 k = 0.0283-0.0586-0.1088 ( 2909 PWs) bands (ev): -8.8936 -8.8936 -8.8483 -8.8483 -8.8462 -8.8462 -8.8139 -8.8139 -8.4598 -8.4598 -8.4033 -8.4033 -8.3939 -8.3939 -8.3593 -8.3593 -8.3435 -8.3435 -8.2575 -8.2575 -7.9279 -7.9279 -7.4584 -7.4584 -0.6975 -0.6975 2.6569 2.6569 4.3494 4.3494 4.4549 4.4549 4.5739 4.5739 4.6015 4.6015 4.9294 4.9294 8.4408 8.4408 9.3083 9.3083 10.6082 10.6082 10.8305 10.8305 k = 0.0339-0.0703-0.1306 ( 2909 PWs) bands (ev): -8.8956 -8.8956 -8.8499 -8.8499 -8.8461 -8.8461 -8.8129 -8.8129 -8.4657 -8.4657 -8.4056 -8.4056 -8.3930 -8.3930 -8.3580 -8.3580 -8.3405 -8.3405 -8.2570 -8.2570 -7.9127 -7.9127 -7.4465 -7.4465 -0.6881 -0.6881 2.6448 2.6448 4.2644 4.2644 4.4017 4.4017 4.5535 4.5535 4.5847 4.5847 4.9546 4.9546 8.4923 8.4923 9.3690 9.3690 10.5618 10.5618 10.8458 10.8458 k = 0.0396-0.0820-0.1524 ( 2913 PWs) bands (ev): -8.8978 -8.8978 -8.8517 -8.8517 -8.8459 -8.8459 -8.8121 -8.8121 -8.4718 -8.4718 -8.4080 -8.4080 -8.3923 -8.3923 -8.3570 -8.3570 -8.3372 -8.3372 -8.2564 -8.2564 -7.8949 -7.8949 -7.4325 -7.4325 -0.6773 -0.6773 2.6293 2.6293 4.1726 4.1726 4.3422 4.3422 4.5307 4.5307 4.5653 4.5653 4.9778 4.9778 8.5490 8.5490 9.4364 9.4364 10.5085 10.5085 10.8653 10.8653 k = 0.0452-0.0937-0.1741 ( 2919 PWs) bands (ev): -8.9003 -8.9003 -8.8535 -8.8535 -8.8458 -8.8458 -8.8113 -8.8113 -8.4778 -8.4778 -8.4106 -8.4106 -8.3916 -8.3916 -8.3560 -8.3560 -8.3339 -8.3339 -8.2558 -8.2558 -7.8747 -7.8747 -7.4164 -7.4164 -0.6649 -0.6649 2.6101 2.6101 4.0750 4.0750 4.2785 4.2785 4.5052 4.5052 4.5430 4.5430 4.9995 4.9995 8.6093 8.6093 9.5087 9.5087 10.4508 10.4508 10.8874 10.8874 k = 0.0509-0.1054-0.1959 ( 2917 PWs) bands (ev): -8.9030 -8.9030 -8.8555 -8.8555 -8.8456 -8.8456 -8.8106 -8.8106 -8.4836 -8.4836 -8.4133 -8.4133 -8.3910 -8.3910 -8.3552 -8.3552 -8.3305 -8.3305 -8.2550 -8.2550 -7.8522 -7.8522 -7.3983 -7.3983 -0.6510 -0.6510 2.5864 2.5864 3.9726 3.9726 4.2126 4.2126 4.4766 4.4766 4.5179 4.5179 5.0198 5.0198 8.6719 8.6719 9.5833 9.5833 10.3915 10.3915 10.9107 10.9107 k = 0.0565-0.1171-0.2176 ( 2919 PWs) bands (ev): -8.9059 -8.9059 -8.8575 -8.8575 -8.8454 -8.8454 -8.8101 -8.8101 -8.4892 -8.4892 -8.4160 -8.4160 -8.3904 -8.3904 -8.3544 -8.3544 -8.3273 -8.3273 -8.2541 -8.2541 -7.8275 -7.8275 -7.3782 -7.3782 -0.6358 -0.6358 2.5576 2.5576 3.8663 3.8663 4.1464 4.1464 4.4450 4.4450 4.4899 4.4899 5.0390 5.0390 8.7353 8.7353 9.6570 9.6570 10.3339 10.3339 10.9337 10.9337 k = 0.0622-0.1288-0.2394 ( 2929 PWs) bands (ev): -8.9090 -8.9090 -8.8596 -8.8596 -8.8452 -8.8452 -8.8098 -8.8098 -8.4945 -8.4945 -8.4188 -8.4188 -8.3899 -8.3899 -8.3538 -8.3538 -8.3243 -8.3243 -8.2531 -8.2531 -7.8007 -7.8007 -7.3561 -7.3561 -0.6194 -0.6194 2.5230 2.5230 3.7568 3.7568 4.0816 4.0816 4.4100 4.4100 4.4589 4.4589 5.0574 5.0574 8.7982 8.7982 9.7249 9.7249 10.2829 10.2829 10.9550 10.9550 k = 0.0679-0.1405-0.2612 ( 2935 PWs) bands (ev): -8.9122 -8.9122 -8.8618 -8.8618 -8.8450 -8.8450 -8.8096 -8.8096 -8.4995 -8.4995 -8.4215 -8.4215 -8.3893 -8.3893 -8.3532 -8.3532 -8.3215 -8.3215 -8.2520 -8.2520 -7.7718 -7.7718 -7.3322 -7.3322 -0.6018 -0.6018 2.4820 2.4820 3.6450 3.6450 4.0198 4.0198 4.3717 4.3717 4.4249 4.4249 5.0750 5.0750 8.8596 8.8596 9.7790 9.7790 10.2464 10.2464 10.9730 10.9730 k = 0.0735-0.1522-0.2829 ( 2931 PWs) bands (ev): -8.9156 -8.9156 -8.8641 -8.8641 -8.8447 -8.8447 -8.8095 -8.8095 -8.5041 -8.5041 -8.4242 -8.4242 -8.3887 -8.3887 -8.3527 -8.3527 -8.3189 -8.3189 -8.2507 -8.2507 -7.7410 -7.7410 -7.3064 -7.3064 -0.5832 -0.5832 2.4340 2.4340 3.5316 3.5316 3.9624 3.9624 4.3301 4.3301 4.3879 4.3879 5.0921 5.0921 8.9186 8.9186 9.8084 9.8084 10.2351 10.2351 10.9863 10.9863 k = 0.0792-0.1640-0.3047 ( 2923 PWs) bands (ev): -8.9190 -8.9190 -8.8664 -8.8664 -8.8444 -8.8444 -8.8096 -8.8096 -8.5083 -8.5083 -8.4268 -8.4268 -8.3881 -8.3881 -8.3521 -8.3521 -8.3166 -8.3166 -8.2494 -8.2494 -7.7084 -7.7084 -7.2789 -7.2789 -0.5637 -0.5637 2.3788 2.3788 3.4174 3.4174 3.9104 3.9104 4.2851 4.2851 4.3480 4.3480 5.1086 5.1086 8.9743 8.9743 9.8060 9.8060 10.2560 10.2560 10.9938 10.9938 k = 0.0848-0.1757-0.3265 ( 2927 PWs) bands (ev): -8.9225 -8.9225 -8.8690 -8.8690 -8.8441 -8.8441 -8.8098 -8.8098 -8.5121 -8.5121 -8.4294 -8.4294 -8.3874 -8.3874 -8.3516 -8.3516 -8.3145 -8.3145 -8.2479 -8.2479 -7.6739 -7.6739 -7.2496 -7.2496 -0.5435 -0.5435 2.3163 2.3163 3.3031 3.3031 3.8644 3.8644 4.2367 4.2367 4.3052 4.3052 5.1246 5.1246 9.0261 9.0261 9.7770 9.7770 10.3039 10.3039 10.9945 10.9945 k = 0.0905-0.1874-0.3482 ( 2925 PWs) bands (ev): -8.9261 -8.9261 -8.8716 -8.8716 -8.8438 -8.8438 -8.8100 -8.8100 -8.5156 -8.5156 -8.4319 -8.4319 -8.3868 -8.3868 -8.3512 -8.3512 -8.3127 -8.3127 -8.2463 -8.2463 -7.6378 -7.6378 -7.2187 -7.2187 -0.5229 -0.5229 2.2466 2.2466 3.1893 3.1893 3.8250 3.8250 4.1850 4.1850 4.2594 4.2594 5.1400 5.1400 9.0734 9.0734 9.7322 9.7322 10.3679 10.3679 10.9880 10.9880 k = 0.0961-0.1991-0.3700 ( 2923 PWs) bands (ev): -8.9297 -8.9297 -8.8744 -8.8744 -8.8435 -8.8435 -8.8103 -8.8103 -8.5187 -8.5187 -8.4343 -8.4343 -8.3860 -8.3860 -8.3507 -8.3507 -8.3112 -8.3112 -8.2446 -8.2446 -7.6000 -7.6000 -7.1862 -7.1862 -0.5021 -0.5021 2.1701 2.1701 3.0768 3.0768 3.7920 3.7920 4.1301 4.1301 4.2108 4.2108 5.1550 5.1550 9.1159 9.1159 9.6799 9.6799 10.4397 10.4397 10.9742 10.9742 k = 0.1018-0.2108-0.3918 ( 2921 PWs) bands (ev): -8.9333 -8.9333 -8.8773 -8.8773 -8.8432 -8.8432 -8.8107 -8.8107 -8.5215 -8.5215 -8.4366 -8.4366 -8.3853 -8.3853 -8.3503 -8.3503 -8.3098 -8.3098 -8.2428 -8.2428 -7.5606 -7.5606 -7.1522 -7.1522 -0.4812 -0.4812 2.0876 2.0876 2.9661 2.9661 3.7652 3.7652 4.0719 4.0719 4.1596 4.1596 5.1693 5.1693 9.1532 9.1532 9.6248 9.6248 10.5145 10.5145 10.9535 10.9535 k = 0.1074-0.2225-0.4135 ( 2927 PWs) bands (ev): -8.9369 -8.9369 -8.8803 -8.8803 -8.8429 -8.8429 -8.8111 -8.8111 -8.5241 -8.5241 -8.4389 -8.4389 -8.3845 -8.3845 -8.3499 -8.3499 -8.3087 -8.3087 -8.2410 -8.2410 -7.5198 -7.5198 -7.1167 -7.1167 -0.4607 -0.4607 1.9998 1.9998 2.8580 2.8580 3.7441 3.7441 4.0107 4.0107 4.1057 4.1057 5.1828 5.1828 9.1851 9.1851 9.5694 9.5694 10.5899 10.5899 10.9264 10.9264 k = 0.1131-0.2342-0.4353 ( 2931 PWs) bands (ev): -8.9405 -8.9405 -8.8835 -8.8835 -8.8426 -8.8426 -8.8115 -8.8115 -8.5264 -8.5264 -8.4410 -8.4410 -8.3837 -8.3837 -8.3496 -8.3496 -8.3077 -8.3077 -8.2391 -8.2391 -7.4775 -7.4775 -7.0799 -7.0799 -0.4408 -0.4408 1.9076 1.9076 2.7530 2.7530 3.7280 3.7280 3.9465 3.9465 4.0495 4.0495 5.1956 5.1956 9.2115 9.2115 9.5152 9.5152 10.6645 10.6645 10.8941 10.8941 k = 0.1187-0.2459-0.4571 ( 2919 PWs) bands (ev): -8.9441 -8.9441 -8.8866 -8.8866 -8.8423 -8.8423 -8.8118 -8.8118 -8.5283 -8.5283 -8.4430 -8.4430 -8.3827 -8.3827 -8.3492 -8.3492 -8.3069 -8.3069 -8.2371 -8.2371 -7.4338 -7.4338 -7.0418 -7.0418 -0.4220 -0.4220 1.8118 1.8118 2.6520 2.6520 3.7159 3.7159 3.8796 3.8796 3.9914 3.9914 5.2074 5.2074 9.2323 9.2323 9.4630 9.4630 10.7372 10.7372 10.8577 10.8577 k = 0.1244-0.2576-0.4788 ( 2915 PWs) bands (ev): -8.9476 -8.9476 -8.8899 -8.8899 -8.8419 -8.8419 -8.8122 -8.8122 -8.5301 -8.5301 -8.4449 -8.4449 -8.3818 -8.3818 -8.3488 -8.3488 -8.3063 -8.3063 -8.2351 -8.2351 -7.3888 -7.3888 -7.0025 -7.0025 -0.4046 -0.4046 1.7133 1.7133 2.5554 2.5554 3.7065 3.7065 3.8103 3.8103 3.9319 3.9319 5.2181 5.2181 9.2476 9.2476 9.4135 9.4135 10.8024 10.8024 10.8236 10.8236 k = 0.1300-0.2694-0.5006 ( 2915 PWs) bands (ev): -8.9511 -8.9511 -8.8933 -8.8933 -8.8416 -8.8416 -8.8125 -8.8125 -8.5318 -8.5318 -8.4468 -8.4468 -8.3808 -8.3808 -8.3484 -8.3484 -8.3058 -8.3058 -8.2330 -8.2330 -7.3426 -7.3426 -6.9621 -6.9621 -0.3891 -0.3891 1.6128 1.6128 2.4641 2.4641 3.6966 3.6966 3.7400 3.7400 3.8727 3.8727 5.2276 5.2276 9.2574 9.2574 9.3670 9.3670 10.7736 10.7736 10.8790 10.8790 k = 0.1357-0.2811-0.5224 ( 2935 PWs) bands (ev): -8.9546 -8.9546 -8.8967 -8.8967 -8.8413 -8.8413 -8.8128 -8.8128 -8.5333 -8.5333 -8.4485 -8.4485 -8.3799 -8.3799 -8.3481 -8.3481 -8.3055 -8.3055 -8.2310 -8.2310 -7.2953 -7.2953 -6.9207 -6.9207 -0.3759 -0.3759 1.5111 1.5111 2.3787 2.3787 3.6578 3.6578 3.6927 3.6927 3.8178 3.8178 5.2357 5.2357 9.2616 9.2616 9.3239 9.3239 10.7304 10.7304 10.9450 10.9450 k = 0.1414-0.2928-0.5441 ( 2935 PWs) bands (ev): -8.9580 -8.9580 -8.9001 -8.9001 -8.8410 -8.8410 -8.8131 -8.8131 -8.5346 -8.5346 -8.4502 -8.4502 -8.3788 -8.3788 -8.3477 -8.3477 -8.3052 -8.3052 -8.2290 -8.2290 -7.2468 -7.2468 -6.8784 -6.8784 -0.3656 -0.3656 1.4089 1.4089 2.2999 2.2999 3.5837 3.5837 3.6646 3.6646 3.7772 3.7772 5.2422 5.2422 9.2587 9.2587 9.2862 9.2862 10.6864 10.6864 11.0088 11.0088 k = 0.1470-0.3045-0.5659 ( 2923 PWs) bands (ev): -8.9614 -8.9614 -8.9035 -8.9035 -8.8406 -8.8406 -8.8133 -8.8133 -8.5358 -8.5358 -8.4517 -8.4517 -8.3777 -8.3777 -8.3473 -8.3473 -8.3050 -8.3050 -8.2270 -8.2270 -7.1974 -7.1974 -6.8353 -6.8353 -0.3587 -0.3587 1.3067 1.3067 2.2283 2.2283 3.5057 3.5057 3.6165 3.6165 3.7590 3.7590 5.2470 5.2470 9.2383 9.2383 9.2649 9.2649 10.6424 10.6424 11.0702 11.0702 k = 0.1527-0.3162-0.5876 ( 2925 PWs) bands (ev): -8.9647 -8.9647 -8.9069 -8.9069 -8.8402 -8.8402 -8.8135 -8.8135 -8.5370 -8.5370 -8.4532 -8.4532 -8.3766 -8.3766 -8.3469 -8.3469 -8.3049 -8.3049 -8.2250 -8.2250 -7.1471 -7.1471 -6.7916 -6.7916 -0.3555 -0.3555 1.2051 1.2051 2.1647 2.1647 3.4256 3.4256 3.5537 3.5537 3.7556 3.7556 5.2500 5.2500 9.2064 9.2064 9.2539 9.2539 10.5989 10.5989 11.1293 11.1293 k = 0.1583-0.3279-0.6094 ( 2923 PWs) bands (ev): -8.9679 -8.9679 -8.9102 -8.9102 -8.8399 -8.8399 -8.8136 -8.8136 -8.5380 -8.5380 -8.4546 -8.4546 -8.3755 -8.3755 -8.3466 -8.3466 -8.3049 -8.3049 -8.2230 -8.2230 -7.0961 -7.0961 -6.7473 -6.7473 -0.3566 -0.3566 1.1046 1.1046 2.1095 2.1095 3.3440 3.3440 3.4840 3.4840 3.7587 3.7587 5.2508 5.2508 9.1755 9.1755 9.2415 9.2415 10.5563 10.5563 11.1860 11.1860 k = 0.1640-0.3396-0.6312 ( 2923 PWs) bands (ev): -8.9710 -8.9710 -8.9135 -8.9135 -8.8395 -8.8395 -8.8137 -8.8137 -8.5390 -8.5390 -8.4559 -8.4559 -8.3743 -8.3743 -8.3462 -8.3462 -8.3049 -8.3049 -8.2211 -8.2211 -7.0443 -7.0443 -6.7025 -6.7025 -0.3623 -0.3623 1.0056 1.0056 2.0632 2.0632 3.2612 3.2612 3.4108 3.4108 3.7650 3.7650 5.2495 5.2495 9.1468 9.1468 9.2265 9.2265 10.5147 10.5147 11.2404 11.2404 k = 0.1696-0.3513-0.6529 ( 2921 PWs) bands (ev): -8.9741 -8.9741 -8.9167 -8.9167 -8.8391 -8.8391 -8.8137 -8.8137 -8.5400 -8.5400 -8.4571 -8.4571 -8.3731 -8.3731 -8.3459 -8.3459 -8.3050 -8.3050 -8.2192 -8.2192 -6.9919 -6.9919 -6.6575 -6.6575 -0.3727 -0.3727 0.9084 0.9084 2.0262 2.0262 3.1774 3.1774 3.3353 3.3353 3.7728 3.7728 5.2458 5.2458 9.1207 9.1207 9.2093 9.2093 10.4743 10.4743 11.2926 11.2926 k = 0.1753-0.3630-0.6747 ( 2917 PWs) bands (ev): -8.9771 -8.9771 -8.9198 -8.9198 -8.8388 -8.8388 -8.8137 -8.8137 -8.5409 -8.5409 -8.4582 -8.4582 -8.3719 -8.3719 -8.3455 -8.3455 -8.3052 -8.3052 -8.2174 -8.2174 -6.9391 -6.9391 -6.6123 -6.6123 -0.3880 -0.3880 0.8135 0.8135 1.9986 1.9986 3.0930 3.0930 3.2582 3.2582 3.7815 3.7815 5.2397 5.2397 9.0968 9.0968 9.1903 9.1903 10.4348 10.4348 11.3428 11.3428 k = 0.1809-0.3748-0.6965 ( 2913 PWs) bands (ev): -8.9799 -8.9799 -8.9228 -8.9228 -8.8384 -8.8384 -8.8136 -8.8136 -8.5418 -8.5418 -8.4593 -8.4593 -8.3706 -8.3706 -8.3452 -8.3452 -8.3053 -8.3053 -8.2156 -8.2156 -6.8860 -6.8860 -6.5671 -6.5671 -0.4081 -0.4081 0.7212 0.7212 1.9805 1.9805 3.0082 3.0082 3.1800 3.1800 3.7905 3.7905 5.2310 5.2310 9.0750 9.0750 9.1701 9.1701 10.3963 10.3963 11.3912 11.3912 k = 0.1866-0.3865-0.7182 ( 2911 PWs) bands (ev): -8.9827 -8.9827 -8.9256 -8.9256 -8.8381 -8.8381 -8.8135 -8.8135 -8.5426 -8.5426 -8.4604 -8.4604 -8.3694 -8.3694 -8.3448 -8.3448 -8.3056 -8.3056 -8.2139 -8.2139 -6.8327 -6.8327 -6.5221 -6.5221 -0.4327 -0.4327 0.6318 0.6318 1.9716 1.9716 2.9234 2.9234 3.1009 3.1009 3.7994 3.7994 5.2196 5.2196 9.0551 9.0551 9.1493 9.1493 10.3584 10.3584 11.4379 11.4379 k = 0.1922-0.3982-0.7400 ( 2919 PWs) bands (ev): -8.9855 -8.9855 -8.9284 -8.9284 -8.8377 -8.8377 -8.8134 -8.8134 -8.5435 -8.5435 -8.4614 -8.4614 -8.3682 -8.3682 -8.3445 -8.3445 -8.3058 -8.3058 -8.2123 -8.2123 -6.7793 -6.7793 -6.4774 -6.4774 -0.4615 -0.4615 0.5455 0.5455 1.9715 1.9715 2.8388 2.8388 3.0212 3.0212 3.8079 3.8079 5.2055 5.2055 9.0367 9.0367 9.1285 9.1285 10.3209 10.3209 11.4829 11.4829 k = 0.1979-0.4099-0.7618 ( 2917 PWs) bands (ev): -8.9881 -8.9881 -8.9310 -8.9310 -8.8374 -8.8374 -8.8133 -8.8133 -8.5443 -8.5443 -8.4623 -8.4623 -8.3670 -8.3670 -8.3441 -8.3441 -8.3061 -8.3061 -8.2107 -8.2107 -6.7260 -6.7260 -6.4331 -6.4331 -0.4939 -0.4939 0.4626 0.4626 1.9797 1.9797 2.7548 2.7548 2.9412 2.9412 3.8158 3.8158 5.1887 5.1887 9.0196 9.0196 9.1083 9.1083 10.2834 10.2834 11.5261 11.5261 k = 0.2036-0.4216-0.7835 ( 2915 PWs) bands (ev): -8.9906 -8.9906 -8.9335 -8.9335 -8.8371 -8.8371 -8.8131 -8.8131 -8.5452 -8.5452 -8.4632 -8.4632 -8.3658 -8.3658 -8.3438 -8.3438 -8.3064 -8.3064 -8.2092 -8.2092 -6.6729 -6.6729 -6.3895 -6.3895 -0.5294 -0.5294 0.3835 0.3835 1.9955 1.9955 2.6719 2.6719 2.8611 2.8611 3.8227 3.8227 5.1691 5.1691 9.0034 9.0034 9.0891 9.0891 10.2456 10.2456 11.5672 11.5672 k = 0.2092-0.4333-0.8053 ( 2919 PWs) bands (ev): -8.9930 -8.9930 -8.9358 -8.9358 -8.8368 -8.8368 -8.8129 -8.8129 -8.5460 -8.5460 -8.4641 -8.4641 -8.3646 -8.3646 -8.3435 -8.3435 -8.3067 -8.3067 -8.2078 -8.2078 -6.6203 -6.6203 -6.3467 -6.3467 -0.5673 -0.5673 0.3082 0.3082 2.0179 2.0179 2.5908 2.5908 2.7812 2.7812 3.8285 3.8285 5.1467 5.1467 8.9879 8.9879 9.0715 9.0715 10.2072 10.2072 11.6046 11.6046 k = 0.2149-0.4450-0.8271 ( 2917 PWs) bands (ev): -8.9953 -8.9953 -8.9380 -8.9380 -8.8365 -8.8365 -8.8126 -8.8126 -8.5469 -8.5469 -8.4649 -8.4649 -8.3635 -8.3635 -8.3432 -8.3432 -8.3071 -8.3071 -8.2064 -8.2064 -6.5683 -6.5683 -6.3049 -6.3049 -0.6068 -0.6068 0.2370 0.2370 2.0453 2.0453 2.5124 2.5124 2.7016 2.7016 3.8330 3.8330 5.1216 5.1216 8.9728 8.9728 9.0559 9.0559 10.1679 10.1679 11.6349 11.6349 k = 0.2205-0.4567-0.8488 ( 2917 PWs) bands (ev): -8.9975 -8.9975 -8.9400 -8.9400 -8.8362 -8.8362 -8.8124 -8.8124 -8.5478 -8.5478 -8.4656 -8.4656 -8.3623 -8.3623 -8.3429 -8.3429 -8.3074 -8.3074 -8.2052 -8.2052 -6.5170 -6.5170 -6.2643 -6.2643 -0.6475 -0.6475 0.1701 0.1701 2.0755 2.0755 2.4389 2.4389 2.6227 2.6227 3.8360 3.8360 5.0938 5.0938 8.9577 8.9577 9.0427 9.0427 10.1274 10.1274 11.6521 11.6521 k = 0.2262-0.4684-0.8706 ( 2919 PWs) bands (ev): -8.9996 -8.9996 -8.9419 -8.9419 -8.8359 -8.8359 -8.8121 -8.8121 -8.5486 -8.5486 -8.4663 -8.4663 -8.3612 -8.3612 -8.3425 -8.3425 -8.3078 -8.3078 -8.2040 -8.2040 -6.4667 -6.4667 -6.2250 -6.2250 -0.6885 -0.6885 0.1077 0.1077 2.1030 2.1030 2.3750 2.3750 2.5446 2.5446 3.8374 3.8374 5.0635 5.0635 8.9426 8.9426 9.0323 9.0323 10.0856 10.0856 11.6549 11.6549 k = 0.2318-0.4801-0.8924 ( 2929 PWs) bands (ev): -9.0016 -9.0016 -8.9436 -8.9436 -8.8356 -8.8356 -8.8118 -8.8118 -8.5495 -8.5495 -8.4670 -8.4670 -8.3602 -8.3602 -8.3423 -8.3423 -8.3083 -8.3083 -8.2029 -8.2029 -6.4175 -6.4175 -6.1873 -6.1873 -0.7294 -0.7294 0.0498 0.0498 2.1154 2.1154 2.3328 2.3328 2.4678 2.4678 3.8370 3.8370 5.0307 5.0307 8.9272 8.9272 9.0249 9.0249 10.0422 10.0422 11.6510 11.6510 k = 0.2375-0.4919-0.9141 ( 2929 PWs) bands (ev): -9.0034 -9.0034 -8.9452 -8.9452 -8.8354 -8.8354 -8.8115 -8.8115 -8.5504 -8.5504 -8.4677 -8.4677 -8.3591 -8.3591 -8.3419 -8.3419 -8.3087 -8.3087 -8.2019 -8.2019 -6.3697 -6.3697 -6.1513 -6.1513 -0.7694 -0.7694 -0.0032 -0.0032 2.0958 2.0958 2.3277 2.3277 2.3934 2.3934 3.8349 3.8349 4.9956 4.9956 8.9113 8.9113 9.0208 9.0208 9.9973 9.9973 11.6484 11.6484 k = 0.2431-0.5036-0.9359 ( 2931 PWs) bands (ev): -9.0052 -9.0052 -8.9466 -8.9466 -8.8352 -8.8352 -8.8111 -8.8111 -8.5513 -8.5513 -8.4682 -8.4682 -8.3581 -8.3581 -8.3417 -8.3417 -8.3091 -8.3091 -8.2009 -8.2009 -6.3234 -6.3234 -6.1172 -6.1172 -0.8083 -0.8083 -0.0514 -0.0514 2.0480 2.0480 2.3123 2.3123 2.3652 2.3652 3.8308 3.8308 4.9584 4.9584 8.8950 8.8950 9.0202 9.0202 9.9508 9.9508 11.6509 11.6509 k = 0.2488-0.5153-0.9577 ( 2939 PWs) bands (ev): -9.0068 -9.0068 -8.9479 -8.9479 -8.8349 -8.8349 -8.8108 -8.8108 -8.5522 -8.5522 -8.4688 -8.4688 -8.3571 -8.3571 -8.3414 -8.3414 -8.3096 -8.3096 -8.2001 -8.2001 -6.2787 -6.2787 -6.0851 -6.0851 -0.8455 -0.8455 -0.0947 -0.0947 1.9882 1.9882 2.2423 2.2423 2.4113 2.4113 3.8249 3.8249 4.9191 4.9191 8.8781 8.8781 9.0231 9.0231 9.9027 9.9027 11.6603 11.6603 k = 0.2544-0.5270-0.9794 ( 2943 PWs) bands (ev): -9.0084 -9.0084 -8.9490 -8.9490 -8.8347 -8.8347 -8.8104 -8.8104 -8.5531 -8.5531 -8.4693 -8.4693 -8.3562 -8.3562 -8.3411 -8.3411 -8.3101 -8.3101 -8.1993 -8.1993 -6.2360 -6.2360 -6.0552 -6.0552 -0.8806 -0.8806 -0.1331 -0.1331 1.9250 1.9250 2.1720 2.1720 2.4686 2.4686 3.8170 3.8170 4.8780 4.8780 8.8609 8.8609 9.0298 9.0298 9.8532 9.8532 11.6773 11.6773 k = 0.2601-0.5387-1.0012 ( 2941 PWs) bands (ev): -9.0098 -9.0098 -8.9500 -8.9500 -8.8345 -8.8345 -8.8101 -8.8101 -8.5540 -8.5540 -8.4698 -8.4698 -8.3553 -8.3553 -8.3408 -8.3408 -8.3106 -8.3106 -8.1985 -8.1985 -6.1953 -6.1953 -6.0275 -6.0275 -0.9134 -0.9134 -0.1666 -0.1666 1.8619 1.8619 2.1036 2.1036 2.5315 2.5315 3.8071 3.8071 4.8353 4.8353 8.8435 8.8435 9.0401 9.0401 9.8023 9.8023 11.7022 11.7022 k = 0.2657-0.5504-1.0229 ( 2947 PWs) bands (ev): -9.0111 -9.0111 -8.9508 -8.9508 -8.8344 -8.8344 -8.8097 -8.8097 -8.5549 -8.5549 -8.4702 -8.4702 -8.3545 -8.3545 -8.3406 -8.3406 -8.3110 -8.3110 -8.1979 -8.1979 -6.1568 -6.1568 -6.0024 -6.0024 -0.9436 -0.9436 -0.1951 -0.1951 1.8004 1.8004 2.0377 2.0377 2.5981 2.5981 3.7953 3.7953 4.7911 4.7911 8.8262 8.8262 9.0539 9.0539 9.7503 9.7503 11.7350 11.7350 k = 0.2714-0.5621-1.0447 ( 2949 PWs) bands (ev): -9.0122 -9.0122 -8.9515 -8.9515 -8.8342 -8.8342 -8.8094 -8.8094 -8.5558 -8.5558 -8.4706 -8.4706 -8.3537 -8.3537 -8.3403 -8.3403 -8.3115 -8.3115 -8.1973 -8.1973 -6.1207 -6.1207 -5.9797 -5.9797 -0.9711 -0.9711 -0.2190 -0.2190 1.7416 1.7416 1.9746 1.9746 2.6673 2.6673 3.7817 3.7817 4.7457 4.7457 8.8091 8.8091 9.0712 9.0712 9.6973 9.6973 11.7756 11.7756 k = 0.2771-0.5738-1.0665 ( 2945 PWs) bands (ev): -9.0133 -9.0133 -8.9522 -8.9522 -8.8340 -8.8340 -8.8090 -8.8090 -8.5566 -8.5566 -8.4709 -8.4709 -8.3529 -8.3529 -8.3400 -8.3400 -8.3120 -8.3120 -8.1968 -8.1968 -6.0871 -6.0871 -5.9596 -5.9596 -0.9957 -0.9957 -0.2382 -0.2382 1.6860 1.6860 1.9146 1.9146 2.7383 2.7383 3.7663 3.7663 4.6993 4.6993 8.7928 8.7928 9.0916 9.0916 9.6438 9.6438 11.8237 11.8237 k = 0.2827-0.5855-1.0882 ( 2939 PWs) bands (ev): -9.0142 -9.0142 -8.9526 -8.9526 -8.8339 -8.8339 -8.8086 -8.8086 -8.5574 -8.5574 -8.4712 -8.4712 -8.3522 -8.3522 -8.3398 -8.3398 -8.3125 -8.3125 -8.1964 -8.1964 -6.0561 -6.0561 -5.9422 -5.9422 -1.0175 -1.0175 -0.2531 -0.2531 1.6340 1.6340 1.8582 1.8582 2.8106 2.8106 3.7492 3.7492 4.6521 4.6521 8.7775 8.7775 9.1147 9.1147 9.5900 9.5900 11.8790 11.8790 k = 0.2884-0.5973-1.1100 ( 2929 PWs) bands (ev): -9.0150 -9.0150 -8.9530 -8.9530 -8.8337 -8.8337 -8.8083 -8.8083 -8.5581 -8.5581 -8.4715 -8.4715 -8.3516 -8.3516 -8.3395 -8.3395 -8.3129 -8.3129 -8.1960 -8.1960 -6.0278 -6.0278 -5.9274 -5.9274 -1.0365 -1.0365 -0.2639 -0.2639 1.5862 1.5862 1.8056 1.8056 2.8836 2.8836 3.7305 3.7305 4.6042 4.6042 8.7637 8.7637 9.1399 9.1399 9.5367 9.5367 11.9412 11.9412 k = 0.2940-0.6090-1.1318 ( 2927 PWs) bands (ev): -9.0158 -9.0158 -8.9533 -8.9533 -8.8336 -8.8336 -8.8080 -8.8080 -8.5588 -8.5588 -8.4717 -8.4717 -8.3511 -8.3511 -8.3392 -8.3392 -8.3133 -8.3133 -8.1956 -8.1956 -6.0023 -6.0023 -5.9153 -5.9153 -1.0527 -1.0527 -0.2710 -0.2710 1.5428 1.5428 1.7573 1.7573 2.9569 2.9569 3.7103 3.7103 4.5560 4.5560 8.7519 8.7519 9.1661 9.1661 9.4847 9.4847 12.0098 12.0098 k = 0.2997-0.6207-1.1535 ( 2941 PWs) bands (ev): -9.0164 -9.0164 -8.9536 -8.9536 -8.8335 -8.8335 -8.8077 -8.8077 -8.5595 -8.5595 -8.4719 -8.4719 -8.3506 -8.3506 -8.3390 -8.3390 -8.3138 -8.3138 -8.1954 -8.1954 -5.9796 -5.9796 -5.9058 -5.9058 -1.0663 -1.0663 -0.2748 -0.2748 1.5044 1.5044 1.7138 1.7138 3.0301 3.0301 3.6888 3.6888 4.5077 4.5077 8.7424 8.7424 9.1909 9.1909 9.4361 9.4361 12.0843 12.0843 k = 0.3053-0.6324-1.1753 ( 2937 PWs) bands (ev): -9.0169 -9.0169 -8.9537 -8.9537 -8.8334 -8.8334 -8.8075 -8.8075 -8.5601 -8.5601 -8.4721 -8.4721 -8.3502 -8.3502 -8.3388 -8.3388 -8.3142 -8.3142 -8.1952 -8.1952 -5.9597 -5.9597 -5.8989 -5.8989 -1.0776 -1.0776 -0.2759 -0.2759 1.4712 1.4712 1.6755 1.6755 3.1026 3.1026 3.6661 3.6661 4.4595 4.4595 8.7357 8.7357 9.2094 9.2094 9.3958 9.3958 12.1643 12.1643 k = 0.3110-0.6441-1.1971 ( 2935 PWs) bands (ev): -9.0174 -9.0174 -8.9538 -8.9538 -8.8333 -8.8333 -8.8072 -8.8072 -8.5606 -8.5606 -8.4722 -8.4722 -8.3498 -8.3498 -8.3385 -8.3385 -8.3145 -8.3145 -8.1950 -8.1950 -5.9426 -5.9426 -5.8945 -5.8945 -1.0868 -1.0868 -0.2748 -0.2748 1.4437 1.4437 1.6429 1.6429 3.1740 3.1740 3.6424 3.6424 4.4117 4.4117 8.7323 8.7323 9.2112 9.2112 9.3739 9.3739 12.2492 12.2492 k = 0.3166-0.6558-1.2188 ( 2935 PWs) bands (ev): -9.0177 -9.0177 -8.9539 -8.9539 -8.8333 -8.8333 -8.8071 -8.8071 -8.5610 -8.5610 -8.4723 -8.4723 -8.3496 -8.3496 -8.3383 -8.3383 -8.3148 -8.3148 -8.1949 -8.1949 -5.9284 -5.9284 -5.8924 -5.8924 -1.0942 -1.0942 -0.2721 -0.2721 1.4221 1.4221 1.6167 1.6167 3.2438 3.2438 3.6177 3.6177 4.3645 4.3645 8.7326 8.7326 9.1882 9.1882 9.3778 9.3778 12.3381 12.3381 k = 0.3223-0.6675-1.2406 ( 2937 PWs) bands (ev): -9.0179 -9.0179 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5613 -8.5613 -8.4724 -8.4724 -8.3494 -8.3494 -8.3382 -8.3382 -8.3150 -8.3150 -8.1949 -8.1949 -5.9170 -5.9170 -5.8925 -5.8925 -1.1002 -1.1002 -0.2685 -0.2685 1.4068 1.4068 1.5971 1.5971 3.3116 3.3116 3.5924 3.5924 4.3183 4.3183 8.7369 8.7369 9.1482 9.1482 9.3995 9.3995 12.4301 12.4301 k = 0.3279-0.6792-1.2624 ( 2941 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5616 -8.5616 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3151 -8.3151 -8.1948 -8.1948 -5.9088 -5.9088 -5.8942 -5.8942 -1.1051 -1.1051 -0.2645 -0.2645 1.3982 1.3982 1.5849 1.5849 3.3766 3.3766 3.5666 3.5666 4.2736 4.2736 8.7457 8.7457 9.1008 9.1008 9.4289 9.4289 12.5228 12.5228 k = 0.3336-0.6909-1.2841 ( 2939 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5616 -8.5616 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3152 -8.3152 -8.1948 -8.1948 -5.9054 -5.9054 -5.8956 -5.8956 -1.1093 -1.1093 -0.2608 -0.2608 1.3963 1.3963 1.5804 1.5804 3.4382 3.4382 3.5405 3.5405 4.2308 4.2308 8.7592 8.7592 9.0506 9.0506 9.4606 9.4606 12.6068 12.6068 k = 0.3393-0.7027-1.3059 ( 2935 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5615 -8.5615 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3151 -8.3151 -8.1948 -8.1948 -5.9091 -5.9091 -5.8941 -5.8941 -1.1131 -1.1131 -0.2581 -0.2581 1.4016 1.4016 1.5839 1.5839 3.4934 3.4934 3.5163 3.5163 4.1906 4.1906 8.7779 8.7779 8.9995 8.9995 9.4921 9.4921 12.6346 12.6346 k = 0.6607-0.5883-1.2375 ( 2935 PWs) bands (ev): -9.0181 -9.0181 -8.9540 -8.9540 -8.8332 -8.8332 -8.8069 -8.8069 -8.5615 -8.5615 -8.4724 -8.4724 -8.3493 -8.3493 -8.3381 -8.3381 -8.3151 -8.3151 -8.1948 -8.1948 -5.9091 -5.9091 -5.8941 -5.8941 -1.1131 -1.1131 -0.2581 -0.2581 1.4016 1.4016 1.5839 1.5839 3.4934 3.4934 3.5163 3.5163 4.1906 4.1906 8.7779 8.7779 8.9995 8.9995 9.4921 9.4921 12.6346 12.6346 k = 0.6552-0.5640-1.2375 ( 2935 PWs) bands (ev): -9.0179 -9.0179 -8.9540 -8.9540 -8.8332 -8.8332 -8.8070 -8.8070 -8.5613 -8.5613 -8.4723 -8.4723 -8.3494 -8.3494 -8.3382 -8.3382 -8.3149 -8.3149 -8.1949 -8.1949 -5.9163 -5.9163 -5.8927 -5.8927 -1.1168 -1.1168 -0.2568 -0.2568 1.4138 1.4138 1.5954 1.5954 3.4862 3.4862 3.5488 3.5488 4.1547 4.1547 8.8012 8.8012 8.9495 8.9495 9.5212 9.5212 12.5935 12.5935 k = 0.6497-0.5398-1.2375 ( 2935 PWs) bands (ev): -9.0177 -9.0177 -8.9540 -8.9540 -8.8332 -8.8332 -8.8071 -8.8071 -8.5609 -8.5609 -8.4723 -8.4723 -8.3496 -8.3496 -8.3384 -8.3384 -8.3147 -8.3147 -8.1949 -8.1949 -5.9256 -5.9256 -5.8928 -5.8928 -1.1207 -1.1207 -0.2571 -0.2571 1.4329 1.4329 1.6151 1.6151 3.4607 3.4607 3.5933 3.5933 4.1233 4.1233 8.8292 8.8292 8.9007 8.9007 9.5472 9.5472 12.5171 12.5171 k = 0.6441-0.5156-1.2375 ( 2933 PWs) bands (ev): -9.0174 -9.0174 -8.9541 -8.9541 -8.8332 -8.8332 -8.8073 -8.8073 -8.5604 -8.5604 -8.4722 -8.4722 -8.3499 -8.3499 -8.3386 -8.3386 -8.3143 -8.3143 -8.1950 -8.1950 -5.9362 -5.9362 -5.8946 -5.8946 -1.1250 -1.1250 -0.2595 -0.2595 1.4590 1.4590 1.6428 1.6428 3.4351 3.4351 3.6302 3.6302 4.0982 4.0982 8.8434 8.8434 8.8718 8.8718 9.5690 9.5690 12.4140 12.4140 k = 0.6386-0.4914-1.2375 ( 2933 PWs) bands (ev): -9.0171 -9.0171 -8.9542 -8.9542 -8.8333 -8.8333 -8.8076 -8.8076 -8.5597 -8.5597 -8.4721 -8.4721 -8.3502 -8.3502 -8.3389 -8.3389 -8.3139 -8.3139 -8.1951 -8.1951 -5.9481 -5.9481 -5.8979 -5.8979 -1.1300 -1.1300 -0.2639 -0.2639 1.4921 1.4921 1.6785 1.6785 3.4098 3.4098 3.6573 3.6573 4.0811 4.0811 8.7998 8.7998 8.9073 8.9073 9.5856 9.5856 12.2890 12.2890 k = 0.6330-0.4671-1.2375 ( 2931 PWs) bands (ev): -9.0166 -9.0166 -8.9544 -8.9544 -8.8333 -8.8333 -8.8079 -8.8079 -8.5588 -8.5588 -8.4721 -8.4721 -8.3506 -8.3506 -8.3393 -8.3393 -8.3133 -8.3133 -8.1952 -8.1952 -5.9610 -5.9610 -5.9026 -5.9026 -1.1358 -1.1358 -0.2704 -0.2704 1.5319 1.5319 1.7218 1.7218 3.3850 3.3850 3.6729 3.6729 4.0736 4.0736 8.7529 8.7529 8.9528 8.9528 9.5959 9.5959 12.1465 12.1465 k = 0.6275-0.4429-1.2375 ( 2931 PWs) bands (ev): -9.0161 -9.0161 -8.9546 -8.9546 -8.8334 -8.8334 -8.8082 -8.8082 -8.5577 -8.5577 -8.4720 -8.4720 -8.3511 -8.3511 -8.3397 -8.3397 -8.3127 -8.3127 -8.1953 -8.1953 -5.9748 -5.9748 -5.9086 -5.9086 -1.1423 -1.1423 -0.2790 -0.2790 1.5782 1.5782 1.7722 1.7722 3.3610 3.3610 3.6767 3.6767 4.0760 4.0760 8.7066 8.7066 9.0043 9.0043 9.5989 9.5989 11.9906 11.9906 k = 0.6219-0.4187-1.2375 ( 2933 PWs) bands (ev): -9.0155 -9.0155 -8.9550 -8.9550 -8.8335 -8.8335 -8.8086 -8.8086 -8.5565 -8.5565 -8.4720 -8.4720 -8.3516 -8.3516 -8.3401 -8.3401 -8.3120 -8.3120 -8.1954 -8.1954 -5.9892 -5.9892 -5.9157 -5.9157 -1.1497 -1.1497 -0.2894 -0.2894 1.6306 1.6306 1.8291 1.8291 3.3379 3.3379 3.6699 3.6699 4.0869 4.0869 8.6613 8.6613 9.0615 9.0615 9.5939 9.5939 11.8252 11.8252 k = 0.6164-0.3944-1.2375 ( 2933 PWs) bands (ev): -9.0149 -9.0149 -8.9554 -8.9554 -8.8336 -8.8336 -8.8091 -8.8091 -8.5551 -8.5551 -8.4720 -8.4720 -8.3522 -8.3522 -8.3405 -8.3405 -8.3112 -8.3112 -8.1955 -8.1955 -6.0041 -6.0041 -5.9236 -5.9236 -1.1579 -1.1579 -0.3015 -0.3015 1.6889 1.6889 1.8920 1.8920 3.3160 3.3160 3.6551 3.6551 4.1041 4.1041 8.6171 8.6171 9.1243 9.1243 9.5800 9.5800 11.6534 11.6534 k = 0.6109-0.3702-1.2375 ( 2933 PWs) bands (ev): -9.0142 -9.0142 -8.9558 -8.9558 -8.8338 -8.8338 -8.8095 -8.8095 -8.5535 -8.5535 -8.4720 -8.4720 -8.3529 -8.3529 -8.3410 -8.3410 -8.3104 -8.3104 -8.1956 -8.1956 -6.0193 -6.0193 -5.9323 -5.9323 -1.1668 -1.1668 -0.3149 -0.3149 1.7525 1.7525 1.9601 1.9601 3.2954 3.2954 3.6347 3.6347 4.1249 4.1249 8.5740 8.5740 9.1922 9.1922 9.5569 9.5569 11.4780 11.4780 k = 0.6053-0.3460-1.2375 ( 2927 PWs) bands (ev): -9.0133 -9.0133 -8.9564 -8.9564 -8.8339 -8.8339 -8.8100 -8.8100 -8.5517 -8.5517 -8.4721 -8.4721 -8.3536 -8.3536 -8.3414 -8.3414 -8.3095 -8.3095 -8.1957 -8.1957 -6.0348 -6.0348 -5.9416 -5.9416 -1.1764 -1.1764 -0.3294 -0.3294 1.8210 1.8210 2.0324 2.0324 3.2765 3.2765 3.6109 3.6109 4.1475 4.1475 8.5319 8.5319 9.2647 9.2647 9.5245 9.5245 11.3013 11.3013 k = 0.5998-0.3217-1.2375 ( 2923 PWs) bands (ev): -9.0125 -9.0125 -8.9571 -8.9571 -8.8340 -8.8340 -8.8105 -8.8105 -8.5498 -8.5498 -8.4721 -8.4721 -8.3544 -8.3544 -8.3419 -8.3419 -8.3087 -8.3087 -8.1958 -8.1958 -6.0503 -6.0503 -5.9514 -5.9514 -1.1865 -1.1865 -0.3448 -0.3448 1.8938 1.8938 2.1081 2.1081 3.2596 3.2596 3.5852 3.5852 4.1703 4.1703 8.4908 8.4908 9.3410 9.3410 9.4829 9.4829 11.1256 11.1256 k = 0.5942-0.2975-1.2375 ( 2918 PWs) bands (ev): -9.0115 -9.0115 -8.9579 -8.9579 -8.8342 -8.8342 -8.8110 -8.8110 -8.5477 -8.5477 -8.4723 -8.4723 -8.3552 -8.3552 -8.3423 -8.3423 -8.3078 -8.3078 -8.1959 -8.1959 -6.0657 -6.0657 -5.9614 -5.9614 -1.1970 -1.1970 -0.3607 -0.3607 1.9702 1.9702 2.1861 2.1861 3.2450 3.2450 3.5585 3.5585 4.1926 4.1926 8.4507 8.4507 9.4157 9.4157 9.4370 9.4370 10.9532 10.9532 k = 0.5887-0.2733-1.2375 ( 2920 PWs) bands (ev): -9.0105 -9.0105 -8.9588 -8.9588 -8.8344 -8.8344 -8.8115 -8.8115 -8.5455 -8.5455 -8.4725 -8.4725 -8.3561 -8.3561 -8.3427 -8.3427 -8.3069 -8.3069 -8.1960 -8.1960 -6.0809 -6.0809 -5.9716 -5.9716 -1.2078 -1.2078 -0.3768 -0.3768 2.0497 2.0497 2.2652 2.2652 3.2333 3.2333 3.5318 3.5318 4.2136 4.2136 8.4114 8.4114 9.3722 9.3722 9.5024 9.5024 10.7869 10.7869 k = 0.5831-0.2491-1.2375 ( 2920 PWs) bands (ev): -9.0095 -9.0095 -8.9597 -8.9597 -8.8346 -8.8346 -8.8120 -8.8120 -8.5431 -8.5431 -8.4728 -8.4728 -8.3570 -8.3570 -8.3430 -8.3430 -8.3060 -8.3060 -8.1961 -8.1961 -6.0957 -6.0957 -5.9818 -5.9818 -1.2188 -1.2188 -0.3931 -0.3931 2.1316 2.1316 2.3441 2.3441 3.2251 3.2251 3.5053 3.5053 4.2331 4.2331 8.3728 8.3728 9.3070 9.3070 9.5805 9.5805 10.6307 10.6307 k = 0.5776-0.2248-1.2375 ( 2922 PWs) bands (ev): -9.0084 -9.0084 -8.9608 -8.9608 -8.8348 -8.8348 -8.8125 -8.8125 -8.5407 -8.5407 -8.4732 -8.4732 -8.3579 -8.3579 -8.3434 -8.3434 -8.3051 -8.3051 -8.1962 -8.1962 -6.1102 -6.1102 -5.9919 -5.9919 -1.2297 -1.2297 -0.4091 -0.4091 2.2151 2.2151 2.4213 2.4213 3.2211 3.2211 3.4794 3.4794 4.2510 4.2510 8.3347 8.3347 9.2361 9.2361 9.6507 9.6507 10.4913 10.4913 k = 0.5721-0.2006-1.2375 ( 2918 PWs) bands (ev): -9.0072 -9.0072 -8.9620 -8.9620 -8.8350 -8.8350 -8.8130 -8.8130 -8.5381 -8.5381 -8.4736 -8.4736 -8.3588 -8.3588 -8.3437 -8.3437 -8.3042 -8.3042 -8.1963 -8.1963 -6.1241 -6.1241 -6.0018 -6.0018 -1.2404 -1.2404 -0.4247 -0.4247 2.2995 2.2995 2.4949 2.4949 3.2224 3.2224 3.4544 3.4544 4.2671 4.2671 8.2970 8.2970 9.1614 9.1614 9.7010 9.7010 10.3814 10.3814 k = 0.5665-0.1764-1.2375 ( 2922 PWs) bands (ev): -9.0059 -9.0059 -8.9633 -8.9633 -8.8352 -8.8352 -8.8134 -8.8134 -8.5355 -8.5355 -8.4742 -8.4742 -8.3598 -8.3598 -8.3440 -8.3440 -8.3034 -8.3034 -8.1964 -8.1964 -6.1373 -6.1373 -6.0113 -6.0113 -1.2509 -1.2509 -0.4398 -0.4398 2.3839 2.3839 2.5630 2.5630 3.2301 3.2301 3.4303 3.4303 4.2815 4.2815 8.2593 8.2593 9.0847 9.0847 9.7121 9.7121 10.3204 10.3204 k = 0.5610-0.1521-1.2375 ( 2928 PWs) bands (ev): -9.0046 -9.0046 -8.9647 -8.9647 -8.8354 -8.8354 -8.8139 -8.8139 -8.5329 -8.5329 -8.4749 -8.4749 -8.3607 -8.3607 -8.3443 -8.3443 -8.3026 -8.3026 -8.1965 -8.1965 -6.1498 -6.1498 -6.0205 -6.0205 -1.2610 -1.2610 -0.4542 -0.4542 2.4674 2.4674 2.6237 2.6237 3.2452 3.2452 3.4073 3.4073 4.2941 4.2941 8.2214 8.2214 9.0079 9.0079 9.6715 9.6715 10.3215 10.3215 k = 0.5554-0.1279-1.2375 ( 2930 PWs) bands (ev): -9.0033 -9.0033 -8.9661 -8.9661 -8.8356 -8.8356 -8.8143 -8.8143 -8.5302 -8.5302 -8.4756 -8.4756 -8.3615 -8.3615 -8.3446 -8.3446 -8.3018 -8.3018 -8.1965 -8.1965 -6.1615 -6.1615 -6.0291 -6.0291 -1.2706 -1.2706 -0.4678 -0.4678 2.5492 2.5492 2.6756 2.6756 3.2684 3.2684 3.3854 3.3854 4.3052 4.3052 8.1833 8.1833 8.9331 8.9331 9.5910 9.5910 10.3732 10.3732 k = 0.5499-0.1037-1.2375 ( 2932 PWs) bands (ev): -9.0019 -9.0019 -8.9676 -8.9676 -8.8358 -8.8358 -8.8146 -8.8146 -8.5275 -8.5275 -8.4765 -8.4765 -8.3623 -8.3623 -8.3448 -8.3448 -8.3012 -8.3012 -8.1966 -8.1966 -6.1724 -6.1724 -6.0372 -6.0372 -1.2795 -1.2795 -0.4803 -0.4803 2.6281 2.6281 2.7180 2.7180 3.2994 3.2994 3.3646 3.3646 4.3146 4.3146 8.1446 8.1446 8.8620 8.8620 9.4920 9.4920 10.4545 10.4545 k = 0.5443-0.0795-1.2375 ( 2936 PWs) bands (ev): -9.0004 -9.0004 -8.9692 -8.9692 -8.8360 -8.8360 -8.8150 -8.8150 -8.5249 -8.5249 -8.4774 -8.4774 -8.3631 -8.3631 -8.3450 -8.3450 -8.3005 -8.3005 -8.1966 -8.1966 -6.1822 -6.1822 -6.0446 -6.0446 -1.2878 -1.2878 -0.4918 -0.4918 2.7017 2.7017 2.7527 2.7527 3.3361 3.3361 3.3457 3.3457 4.3227 4.3227 8.1057 8.1057 8.7964 8.7964 9.3889 9.3889 10.5512 10.5512 k = 0.5388-0.0552-1.2375 ( 2932 PWs) bands (ev): -8.9990 -8.9990 -8.9708 -8.9708 -8.8361 -8.8361 -8.8152 -8.8152 -8.5224 -8.5224 -8.4784 -8.4784 -8.3638 -8.3638 -8.3451 -8.3451 -8.2999 -8.2999 -8.1967 -8.1967 -6.1911 -6.1911 -6.0512 -6.0512 -1.2953 -1.2953 -0.5022 -0.5022 2.7582 2.7582 2.7918 2.7918 3.3255 3.3255 3.3791 3.3791 4.3294 4.3294 8.0669 8.0669 8.7375 8.7375 9.2894 9.2894 10.6557 10.6557 k = 0.5333-0.0310-1.2375 ( 2928 PWs) bands (ev): -8.9975 -8.9975 -8.9724 -8.9724 -8.8362 -8.8362 -8.8155 -8.8155 -8.5199 -8.5199 -8.4794 -8.4794 -8.3644 -8.3644 -8.3453 -8.3453 -8.2994 -8.2994 -8.1967 -8.1967 -6.1988 -6.1988 -6.0571 -6.0571 -1.3019 -1.3019 -0.5113 -0.5113 2.7828 2.7828 2.8508 2.8508 3.3074 3.3074 3.4222 3.4222 4.3349 4.3349 8.0291 8.0291 8.6863 8.6863 9.1978 9.1978 10.7632 10.7632 k = 0.5277-0.0068-1.2375 ( 2928 PWs) bands (ev): -8.9960 -8.9960 -8.9740 -8.9740 -8.8364 -8.8364 -8.8157 -8.8157 -8.5176 -8.5176 -8.4804 -8.4804 -8.3649 -8.3649 -8.3454 -8.3454 -8.2989 -8.2989 -8.1968 -8.1968 -6.2055 -6.2055 -6.0622 -6.0622 -1.3076 -1.3076 -0.5191 -0.5191 2.7959 2.7959 2.9102 2.9102 3.2897 3.2897 3.4640 3.4640 4.3393 4.3393 7.9934 7.9934 8.6434 8.6434 9.1168 9.1168 10.8704 10.8704 k = 0.5222 0.0175-1.2375 ( 2926 PWs) bands (ev): -8.9946 -8.9946 -8.9755 -8.9755 -8.8365 -8.8365 -8.8159 -8.8159 -8.5156 -8.5156 -8.4814 -8.4814 -8.3654 -8.3654 -8.3455 -8.3455 -8.2985 -8.2985 -8.1968 -8.1968 -6.2109 -6.2109 -6.0664 -6.0664 -1.3123 -1.3123 -0.5255 -0.5255 2.8042 2.8042 2.9640 2.9640 3.2725 3.2725 3.5017 3.5017 4.3427 4.3427 7.9612 7.9612 8.6088 8.6088 9.0482 9.0482 10.9737 10.9737 k = 0.5166 0.0417-1.2375 ( 2926 PWs) bands (ev): -8.9932 -8.9932 -8.9770 -8.9770 -8.8365 -8.8365 -8.8160 -8.8160 -8.5139 -8.5139 -8.4823 -8.4823 -8.3657 -8.3657 -8.3456 -8.3456 -8.2982 -8.2982 -8.1968 -8.1968 -6.2153 -6.2153 -6.0697 -6.0697 -1.3160 -1.3160 -0.5306 -0.5306 2.8095 2.8095 3.0103 3.0103 3.2558 3.2558 3.5333 3.5333 4.3452 4.3452 7.9341 7.9341 8.5823 8.5823 8.9935 8.9935 11.0685 11.0685 k = 0.5111 0.0659-1.2375 ( 2926 PWs) bands (ev): -8.9921 -8.9921 -8.9782 -8.9782 -8.8366 -8.8366 -8.8161 -8.8161 -8.5125 -8.5125 -8.4830 -8.4830 -8.3660 -8.3660 -8.3456 -8.3456 -8.2980 -8.2980 -8.1968 -8.1968 -6.2183 -6.2183 -6.0721 -6.0721 -1.3187 -1.3187 -0.5342 -0.5342 2.8127 2.8127 3.0476 3.0476 3.2403 3.2403 3.5571 3.5571 4.3469 4.3469 7.9136 7.9136 8.5637 8.5637 8.9537 8.9537 11.1482 11.1482 k = 0.5055 0.0902-1.2375 ( 2926 PWs) bands (ev): -8.9913 -8.9913 -8.9790 -8.9790 -8.8366 -8.8366 -8.8162 -8.8162 -8.5117 -8.5117 -8.4835 -8.4835 -8.3661 -8.3661 -8.3457 -8.3457 -8.2979 -8.2979 -8.1968 -8.1968 -6.2202 -6.2202 -6.0735 -6.0735 -1.3203 -1.3203 -0.5364 -0.5364 2.8145 2.8145 3.0731 3.0731 3.2281 3.2281 3.5719 3.5719 4.3480 4.3480 7.9007 7.9007 8.5526 8.5526 8.9295 8.9295 11.2032 11.2032 k = 0.5000 0.1144-1.2375 ( 2930 PWs) bands (ev): -8.9910 -8.9910 -8.9793 -8.9793 -8.8367 -8.8367 -8.8162 -8.8162 -8.5114 -8.5114 -8.4837 -8.4837 -8.3662 -8.3662 -8.3457 -8.3457 -8.2978 -8.2978 -8.1968 -8.1968 -6.2208 -6.2208 -6.0740 -6.0740 -1.3209 -1.3209 -0.5371 -0.5371 2.8150 2.8150 3.0825 3.0825 3.2232 3.2232 3.5769 3.5769 4.3483 4.3483 7.8963 7.8963 8.5490 8.5490 8.9214 8.9214 11.2232 11.2232 k = 0.5000 0.1144-1.2375 ( 2930 PWs) bands (ev): -8.9910 -8.9910 -8.9793 -8.9793 -8.8367 -8.8367 -8.8162 -8.8162 -8.5114 -8.5114 -8.4837 -8.4837 -8.3662 -8.3662 -8.3457 -8.3457 -8.2978 -8.2978 -8.1968 -8.1968 -6.2208 -6.2208 -6.0740 -6.0740 -1.3209 -1.3209 -0.5371 -0.5371 2.8150 2.8150 3.0825 3.0825 3.2232 3.2232 3.5769 3.5769 4.3483 4.3483 7.8963 7.8963 8.5490 8.5490 8.9214 8.9214 11.2232 11.2232 k = 0.5230 0.1196-1.2278 ( 2927 PWs) bands (ev): -8.9910 -8.9910 -8.9793 -8.9793 -8.8367 -8.8367 -8.8162 -8.8162 -8.5114 -8.5114 -8.4837 -8.4837 -8.3662 -8.3662 -8.3457 -8.3457 -8.2978 -8.2978 -8.1968 -8.1968 -6.2206 -6.2206 -6.0745 -6.0745 -1.3203 -1.3203 -0.5371 -0.5371 2.8141 2.8141 3.0821 3.0821 3.2237 3.2237 3.5765 3.5765 4.3492 4.3492 7.9002 7.9002 8.5441 8.5441 8.9244 8.9244 11.2248 11.2248 k = 0.5459 0.1249-1.2180 ( 2927 PWs) bands (ev): -8.9909 -8.9909 -8.9793 -8.9793 -8.8367 -8.8367 -8.8162 -8.8162 -8.5115 -8.5115 -8.4836 -8.4836 -8.3662 -8.3662 -8.3457 -8.3457 -8.2978 -8.2978 -8.1968 -8.1968 -6.2200 -6.2200 -6.0761 -6.0761 -1.3186 -1.3186 -0.5370 -0.5370 2.8116 2.8116 3.0807 3.0807 3.2253 3.2253 3.5751 3.5751 4.3518 4.3518 7.9115 7.9115 8.5301 8.5301 8.9327 8.9327 11.2293 11.2293 k = 0.5689 0.1301-1.2083 ( 2930 PWs) bands (ev): -8.9908 -8.9908 -8.9794 -8.9794 -8.8367 -8.8367 -8.8162 -8.8162 -8.5116 -8.5116 -8.4836 -8.4836 -8.3662 -8.3662 -8.3457 -8.3457 -8.2978 -8.2978 -8.1969 -8.1969 -6.2189 -6.2189 -6.0787 -6.0787 -1.3158 -1.3158 -0.5368 -0.5368 2.8073 2.8073 3.0785 3.0785 3.2279 3.2279 3.5728 3.5728 4.3564 4.3564 7.9300 7.9300 8.5083 8.5083 8.9452 8.9452 11.2368 11.2368 k = 0.5919 0.1354-1.1985 ( 2932 PWs) bands (ev): -8.9907 -8.9907 -8.9794 -8.9794 -8.8367 -8.8367 -8.8162 -8.8162 -8.5117 -8.5117 -8.4835 -8.4835 -8.3662 -8.3662 -8.3457 -8.3457 -8.2979 -8.2979 -8.1969 -8.1969 -6.2174 -6.2174 -6.0824 -6.0824 -1.3119 -1.3119 -0.5366 -0.5366 2.8014 2.8014 3.0752 3.0752 3.2315 3.2315 3.5697 3.5697 4.3632 4.3632 7.9552 7.9552 8.4804 8.4804 8.9604 8.9604 11.2472 11.2472 k = 0.6148 0.1407-1.1887 ( 2937 PWs) bands (ev): -8.9906 -8.9906 -8.9795 -8.9795 -8.8368 -8.8368 -8.8162 -8.8162 -8.5119 -8.5119 -8.4834 -8.4834 -8.3662 -8.3662 -8.3457 -8.3457 -8.2979 -8.2979 -8.1969 -8.1969 -6.2155 -6.2155 -6.0870 -6.0870 -1.3069 -1.3069 -0.5364 -0.5364 2.7939 2.7939 3.0709 3.0709 3.2360 3.2360 3.5657 3.5657 4.3725 4.3725 7.9863 7.9863 8.4484 8.4484 8.9771 8.9771 11.2603 11.2603 k = 0.6378 0.1459-1.1790 ( 2937 PWs) bands (ev): -8.9904 -8.9904 -8.9795 -8.9795 -8.8368 -8.8368 -8.8162 -8.8162 -8.5121 -8.5121 -8.4832 -8.4832 -8.3662 -8.3662 -8.3457 -8.3457 -8.2979 -8.2979 -8.1970 -8.1970 -6.2133 -6.2133 -6.0926 -6.0926 -1.3008 -1.3008 -0.5362 -0.5362 2.7846 2.7846 3.0658 3.0658 3.2415 3.2415 3.5609 3.5609 4.3846 4.3846 8.0221 8.0221 8.4138 8.4138 8.9942 8.9942 11.2760 11.2760 k = 0.6607 0.1512-1.1692 ( 2939 PWs) bands (ev): -8.9902 -8.9902 -8.9796 -8.9796 -8.8369 -8.8369 -8.8162 -8.8162 -8.5123 -8.5123 -8.4831 -8.4831 -8.3662 -8.3662 -8.3458 -8.3458 -8.2979 -8.2979 -8.1970 -8.1970 -6.2107 -6.2107 -6.0992 -6.0992 -1.2937 -1.2937 -0.5359 -0.5359 2.7734 2.7734 3.0603 3.0603 3.2478 3.2478 3.5554 3.5554 4.3997 4.3997 8.0607 8.0607 8.3789 8.3789 9.0110 9.0110 11.2940 11.2940 k = 0.6607 0.1512-1.1692 ( 2939 PWs) bands (ev): -8.9902 -8.9902 -8.9796 -8.9796 -8.8369 -8.8369 -8.8162 -8.8162 -8.5123 -8.5123 -8.4831 -8.4831 -8.3662 -8.3662 -8.3458 -8.3458 -8.2979 -8.2979 -8.1970 -8.1970 -6.2107 -6.2107 -6.0992 -6.0992 -1.2937 -1.2937 -0.5359 -0.5359 2.7734 2.7734 3.0603 3.0603 3.2478 3.2478 3.5554 3.5554 4.3997 4.3997 8.0607 8.0607 8.3789 8.3789 9.0110 9.0110 11.2940 11.2940 k = 0.6575 0.1504-1.1439 ( 2938 PWs) bands (ev): -8.9900 -8.9900 -8.9788 -8.9788 -8.8369 -8.8369 -8.8161 -8.8161 -8.5127 -8.5127 -8.4827 -8.4827 -8.3664 -8.3664 -8.3457 -8.3457 -8.2980 -8.2980 -8.1972 -8.1972 -6.2165 -6.2165 -6.1132 -6.1132 -1.2824 -1.2824 -0.5142 -0.5142 2.8129 2.8129 3.0095 3.0095 3.2518 3.2518 3.5597 3.5597 4.3955 4.3955 8.0763 8.0763 8.3855 8.3855 9.0314 9.0314 11.2952 11.2952 k = 0.6542 0.1497-1.1187 ( 2937 PWs) bands (ev): -8.9898 -8.9898 -8.9778 -8.9778 -8.8369 -8.8369 -8.8161 -8.8161 -8.5131 -8.5131 -8.4823 -8.4823 -8.3666 -8.3666 -8.3457 -8.3457 -8.2981 -8.2981 -8.1976 -8.1976 -6.2267 -6.2267 -6.1312 -6.1312 -1.2648 -1.2648 -0.4849 -0.4849 2.8448 2.8448 2.9585 2.9585 3.2578 3.2578 3.5659 3.5659 4.3993 4.3993 8.0924 8.0924 8.3956 8.3956 9.0562 9.0562 11.2973 11.2973 k = 0.6509 0.1489-1.0934 ( 2939 PWs) bands (ev): -8.9896 -8.9896 -8.9764 -8.9764 -8.8370 -8.8370 -8.8161 -8.8161 -8.5137 -8.5137 -8.4817 -8.4817 -8.3669 -8.3669 -8.3457 -8.3457 -8.2982 -8.2982 -8.1981 -8.1981 -6.2411 -6.2411 -6.1530 -6.1530 -1.2411 -1.2411 -0.4483 -0.4483 2.8636 2.8636 2.9129 2.9129 3.2658 3.2658 3.5739 3.5739 4.4114 4.4114 8.1091 8.1091 8.4091 8.4091 9.0853 9.0853 11.3003 11.3003 k = 0.6476 0.1482-1.0682 ( 2939 PWs) bands (ev): -8.9892 -8.9892 -8.9748 -8.9748 -8.8371 -8.8371 -8.8160 -8.8160 -8.5143 -8.5143 -8.4810 -8.4810 -8.3673 -8.3673 -8.3457 -8.3457 -8.2983 -8.2983 -8.1986 -8.1986 -6.2595 -6.2595 -6.1782 -6.1782 -1.2116 -1.2116 -0.4045 -0.4045 2.8397 2.8397 2.9023 2.9023 3.2757 3.2757 3.5836 3.5836 4.4320 4.4320 8.1265 8.1265 8.4259 8.4259 9.1184 9.1184 11.3041 11.3041 k = 0.6443 0.1474-1.0429 ( 2933 PWs) bands (ev): -8.9888 -8.9888 -8.9729 -8.9729 -8.8372 -8.8372 -8.8159 -8.8159 -8.5150 -8.5150 -8.4803 -8.4803 -8.3677 -8.3677 -8.3457 -8.3457 -8.2984 -8.2984 -8.1993 -8.1993 -6.2818 -6.2818 -6.2069 -6.2069 -1.1765 -1.1765 -0.3537 -0.3537 2.7910 2.7910 2.9095 2.9095 3.2874 3.2874 3.5951 3.5951 4.4610 4.4610 8.1445 8.1445 8.4459 8.4459 9.1554 9.1554 11.3087 11.3087 k = 0.6411 0.1467-1.0177 ( 2938 PWs) bands (ev): -8.9882 -8.9882 -8.9708 -8.9708 -8.8373 -8.8373 -8.8159 -8.8159 -8.5158 -8.5158 -8.4794 -8.4794 -8.3682 -8.3682 -8.3457 -8.3457 -8.2986 -8.2986 -8.2001 -8.2001 -6.3077 -6.3077 -6.2386 -6.2386 -1.1364 -1.1364 -0.2964 -0.2964 2.7403 2.7403 2.9122 2.9122 3.3010 3.3010 3.6083 3.6083 4.4978 4.4978 8.1632 8.1632 8.4689 8.4689 9.1959 9.1959 11.3140 11.3140 k = 0.6378 0.1459-0.9924 ( 2932 PWs) bands (ev): -8.9875 -8.9875 -8.9685 -8.9685 -8.8374 -8.8374 -8.8158 -8.8158 -8.5166 -8.5166 -8.4785 -8.4785 -8.3687 -8.3687 -8.3457 -8.3457 -8.2987 -8.2987 -8.2009 -8.2009 -6.3370 -6.3370 -6.2731 -6.2731 -1.0918 -1.0918 -0.2326 -0.2326 2.6904 2.6904 2.9087 2.9087 3.3164 3.3164 3.6232 3.6232 4.5420 4.5420 8.1828 8.1828 8.4949 8.4949 9.2397 9.2397 11.3200 11.3200 k = 0.6345 0.1452-0.9671 ( 2932 PWs) bands (ev): -8.9866 -8.9866 -8.9659 -8.9659 -8.8375 -8.8375 -8.8157 -8.8157 -8.5175 -8.5175 -8.4775 -8.4775 -8.3693 -8.3693 -8.3457 -8.3457 -8.2989 -8.2989 -8.2019 -8.2019 -6.3694 -6.3694 -6.3101 -6.3101 -1.0430 -1.0430 -0.1629 -0.1629 2.6423 2.6423 2.8993 2.8993 3.3337 3.3337 3.6397 3.6397 4.5927 4.5927 8.2033 8.2033 8.5237 8.5237 9.2866 9.2866 11.3265 11.3265 k = 0.6312 0.1444-0.9419 ( 2932 PWs) bands (ev): -8.9857 -8.9857 -8.9632 -8.9632 -8.8377 -8.8377 -8.8156 -8.8156 -8.5184 -8.5184 -8.4764 -8.4764 -8.3699 -8.3699 -8.3458 -8.3458 -8.2991 -8.2991 -8.2029 -8.2029 -6.4047 -6.4047 -6.3493 -6.3493 -0.9908 -0.9908 -0.0875 -0.0875 2.5966 2.5966 2.8845 2.8845 3.3527 3.3527 3.6579 3.6579 4.6488 4.6488 8.2249 8.2249 8.5551 8.5551 9.3361 9.3361 11.3334 11.3334 k = 0.6279 0.1437-0.9166 ( 2929 PWs) bands (ev): -8.9845 -8.9845 -8.9603 -8.9603 -8.8379 -8.8379 -8.8154 -8.8154 -8.5194 -8.5194 -8.4752 -8.4752 -8.3705 -8.3705 -8.3458 -8.3458 -8.2993 -8.2993 -8.2041 -8.2041 -6.4425 -6.4425 -6.3904 -6.3904 -0.9357 -0.9357 -0.0067 -0.0067 2.5539 2.5539 2.8653 2.8653 3.3735 3.3735 3.6776 3.6776 4.7095 4.7095 8.2475 8.2475 8.5892 8.5892 9.3880 9.3880 11.3407 11.3407 k = 0.6247 0.1429-0.8914 ( 2929 PWs) bands (ev): -8.9832 -8.9832 -8.9572 -8.9572 -8.8380 -8.8380 -8.8153 -8.8153 -8.5204 -8.5204 -8.4740 -8.4740 -8.3713 -8.3713 -8.3459 -8.3459 -8.2995 -8.2995 -8.2053 -8.2053 -6.4827 -6.4827 -6.4332 -6.4332 -0.8784 -0.8784 0.0791 0.0791 2.5147 2.5147 2.8423 2.8423 3.3960 3.3960 3.6988 3.6988 4.7738 4.7738 8.2714 8.2714 8.6256 8.6256 9.4420 9.4420 11.3481 11.3481 k = 0.6214 0.1422-0.8661 ( 2931 PWs) bands (ev): -8.9818 -8.9818 -8.9540 -8.9540 -8.8382 -8.8382 -8.8152 -8.8152 -8.5214 -8.5214 -8.4727 -8.4727 -8.3720 -8.3720 -8.3459 -8.3459 -8.2997 -8.2997 -8.2067 -8.2067 -6.5249 -6.5249 -6.4774 -6.4774 -0.8197 -0.8197 0.1695 0.1695 2.4796 2.4796 2.8165 2.8165 3.4201 3.4201 3.7215 3.7215 4.8409 4.8409 8.2965 8.2965 8.6644 8.6644 9.4976 9.4976 11.3555 11.3555 k = 0.6181 0.1414-0.8409 ( 2931 PWs) bands (ev): -8.9803 -8.9803 -8.9506 -8.9506 -8.8384 -8.8384 -8.8150 -8.8150 -8.5224 -8.5224 -8.4714 -8.4714 -8.3727 -8.3727 -8.3460 -8.3460 -8.2999 -8.2999 -8.2081 -8.2081 -6.5689 -6.5689 -6.5226 -6.5226 -0.7601 -0.7601 0.2642 0.2642 2.4492 2.4492 2.7885 2.7885 3.4459 3.4459 3.7456 3.7456 4.9099 4.9099 8.3229 8.3229 8.7053 8.7053 9.5545 9.5545 11.3629 11.3629 k = 0.6148 0.1407-0.8156 ( 2929 PWs) bands (ev): -8.9786 -8.9786 -8.9470 -8.9470 -8.8386 -8.8386 -8.8149 -8.8149 -8.5233 -8.5233 -8.4699 -8.4699 -8.3735 -8.3735 -8.3461 -8.3461 -8.3001 -8.3001 -8.2096 -8.2096 -6.6144 -6.6144 -6.5687 -6.5687 -0.7005 -0.7005 0.3626 0.3626 2.4241 2.4241 2.7591 2.7591 3.4732 3.4732 3.7711 3.7711 4.9800 4.9800 8.3508 8.3508 8.7482 8.7482 9.6122 9.6122 11.3699 11.3699 k = 0.6115 0.1399-0.7904 ( 2920 PWs) bands (ev): -8.9767 -8.9767 -8.9433 -8.9433 -8.8388 -8.8388 -8.8147 -8.8147 -8.5243 -8.5243 -8.4684 -8.4684 -8.3743 -8.3743 -8.3462 -8.3462 -8.3004 -8.3004 -8.2112 -8.2112 -6.6611 -6.6611 -6.6154 -6.6154 -0.6416 -0.6416 0.4645 0.4645 2.4048 2.4048 2.7290 2.7290 3.5020 3.5020 3.7979 3.7979 5.0507 5.0507 8.3801 8.3801 8.7930 8.7930 9.6704 9.6704 11.3764 11.3764 k = 0.6083 0.1392-0.7651 ( 2918 PWs) bands (ev): -8.9747 -8.9747 -8.9395 -8.9395 -8.8390 -8.8390 -8.8145 -8.8145 -8.5252 -8.5252 -8.4669 -8.4669 -8.3751 -8.3751 -8.3463 -8.3463 -8.3006 -8.3006 -8.2128 -8.2128 -6.7088 -6.7088 -6.6625 -6.6625 -0.5843 -0.5843 0.5693 0.5693 2.3918 2.3918 2.6989 2.6989 3.5323 3.5323 3.8259 3.8259 5.1212 5.1212 8.4108 8.4108 8.8395 8.8395 9.7286 9.7286 11.3822 11.3822 k = 0.6050 0.1384-0.7398 ( 2922 PWs) bands (ev): -8.9726 -8.9726 -8.9356 -8.9356 -8.8393 -8.8393 -8.8143 -8.8143 -8.5261 -8.5261 -8.4653 -8.4653 -8.3760 -8.3760 -8.3464 -8.3464 -8.3009 -8.3009 -8.2146 -8.2146 -6.7573 -6.7573 -6.7098 -6.7098 -0.5292 -0.5292 0.6765 0.6765 2.3856 2.3856 2.6696 2.6696 3.5639 3.5639 3.8551 3.8551 5.1911 5.1911 8.4430 8.4430 8.8874 8.8874 9.7863 9.7863 11.3871 11.3871 k = 0.6017 0.1377-0.7146 ( 2924 PWs) bands (ev): -8.9704 -8.9704 -8.9317 -8.9317 -8.8395 -8.8395 -8.8141 -8.8141 -8.5270 -8.5270 -8.4636 -8.4636 -8.3768 -8.3768 -8.3466 -8.3466 -8.3012 -8.3012 -8.2164 -8.2164 -6.8063 -6.8063 -6.7572 -6.7572 -0.4771 -0.4771 0.7855 0.7855 2.3865 2.3865 2.6419 2.6419 3.5967 3.5967 3.8854 3.8854 5.2599 5.2599 8.4763 8.4763 8.9366 8.9366 9.8429 9.8429 11.3909 11.3909 k = 0.5984 0.1369-0.6893 ( 2923 PWs) bands (ev): -8.9681 -8.9681 -8.9276 -8.9276 -8.8397 -8.8397 -8.8139 -8.8139 -8.5278 -8.5278 -8.4619 -8.4619 -8.3776 -8.3776 -8.3467 -8.3467 -8.3016 -8.3016 -8.2182 -8.2182 -6.8556 -6.8556 -6.8045 -6.8045 -0.4285 -0.4285 0.8955 0.8955 2.3947 2.3947 2.6170 2.6170 3.6308 3.6308 3.9167 3.9167 5.3272 5.3272 8.5108 8.5108 8.9868 8.9868 9.8980 9.8980 11.3934 11.3934 k = 0.5951 0.1362-0.6641 ( 2929 PWs) bands (ev): -8.9656 -8.9656 -8.9235 -8.9235 -8.8400 -8.8400 -8.8137 -8.8137 -8.5285 -8.5285 -8.4600 -8.4600 -8.3785 -8.3785 -8.3470 -8.3470 -8.3020 -8.3020 -8.2201 -8.2201 -6.9049 -6.9049 -6.8516 -6.8516 -0.3841 -0.3841 1.0057 1.0057 2.4099 2.4099 2.5963 2.5963 3.6660 3.6660 3.9490 3.9490 5.3926 5.3926 8.5461 8.5461 9.0377 9.0377 9.9511 9.9511 11.3943 11.3943 k = 0.5919 0.1354-0.6388 ( 2928 PWs) bands (ev): -8.9630 -8.9630 -8.9194 -8.9194 -8.8402 -8.8402 -8.8134 -8.8134 -8.5291 -8.5291 -8.4581 -8.4581 -8.3793 -8.3793 -8.3472 -8.3472 -8.3024 -8.3024 -8.2221 -8.2221 -6.9541 -6.9541 -6.8983 -6.8983 -0.3443 -0.3443 1.1150 1.1150 2.4310 2.4310 2.5823 2.5823 3.7023 3.7023 3.9820 3.9820 5.4557 5.4557 8.5818 8.5818 9.0890 9.0890 10.0017 10.0017 11.3934 11.3934 k = 0.5886 0.1346-0.6136 ( 2924 PWs) bands (ev): -8.9602 -8.9602 -8.9152 -8.9152 -8.8405 -8.8405 -8.8131 -8.8131 -8.5296 -8.5296 -8.4562 -8.4562 -8.3801 -8.3801 -8.3474 -8.3474 -8.3028 -8.3028 -8.2241 -8.2241 -7.0030 -7.0030 -6.9444 -6.9444 -0.3094 -0.3094 1.2219 1.2219 2.4553 2.4553 2.5792 2.5792 3.7394 3.7394 4.0158 4.0158 5.5163 5.5163 8.6174 8.6174 9.1405 9.1405 10.0494 10.0494 11.3906 11.3906 k = 0.5853 0.1339-0.5883 ( 2924 PWs) bands (ev): -8.9574 -8.9574 -8.9110 -8.9110 -8.8407 -8.8407 -8.8128 -8.8128 -8.5299 -8.5299 -8.4541 -8.4541 -8.3808 -8.3808 -8.3476 -8.3476 -8.3033 -8.3033 -8.2261 -8.2261 -7.0514 -7.0514 -6.9900 -6.9900 -0.2795 -0.2795 1.3246 1.3246 2.4784 2.4784 2.5930 2.5930 3.7774 3.7774 4.0502 4.0502 5.5743 5.5743 8.6522 8.6522 9.1918 9.1918 10.0939 10.0939 11.3856 11.3856 k = 0.5820 0.1331-0.5631 ( 2922 PWs) bands (ev): -8.9545 -8.9545 -8.9069 -8.9069 -8.8410 -8.8410 -8.8124 -8.8124 -8.5301 -8.5301 -8.4520 -8.4520 -8.3816 -8.3816 -8.3479 -8.3479 -8.3039 -8.3039 -8.2281 -8.2281 -7.0992 -7.0992 -7.0347 -7.0347 -0.2547 -0.2547 1.4209 1.4209 2.4989 2.4989 2.6271 2.6271 3.8160 3.8160 4.0851 4.0851 5.6293 5.6293 8.6851 8.6851 9.2427 9.2427 10.1350 10.1350 11.3783 11.3783 k = 0.5787 0.1324-0.5378 ( 2924 PWs) bands (ev): -8.9515 -8.9515 -8.9028 -8.9028 -8.8412 -8.8412 -8.8121 -8.8121 -8.5301 -8.5301 -8.4498 -8.4498 -8.3823 -8.3823 -8.3482 -8.3482 -8.3046 -8.3046 -8.2302 -8.2302 -7.1462 -7.1462 -7.0786 -7.0786 -0.2348 -0.2348 1.5081 1.5081 2.5223 2.5223 2.6784 2.6784 3.8553 3.8553 4.1204 4.1204 5.6814 5.6814 8.7151 8.7151 9.2929 9.2929 10.1726 10.1726 11.3686 11.3686 k = 0.5755 0.1316-0.5125 ( 2922 PWs) bands (ev): -8.9484 -8.9484 -8.8988 -8.8988 -8.8415 -8.8415 -8.8117 -8.8117 -8.5298 -8.5298 -8.4476 -8.4476 -8.3831 -8.3831 -8.3485 -8.3485 -8.3053 -8.3053 -8.2323 -8.2323 -7.1924 -7.1924 -7.1216 -7.1216 -0.2196 -0.2196 1.5833 1.5833 2.5554 2.5554 2.7422 2.7422 3.8950 3.8950 4.1560 4.1560 5.7303 5.7303 8.7407 8.7407 9.3422 9.3422 10.2067 10.2067 11.3564 11.3564 k = 0.5722 0.1309-0.4873 ( 2924 PWs) bands (ev): -8.9452 -8.9452 -8.8949 -8.8949 -8.8418 -8.8418 -8.8113 -8.8113 -8.5293 -8.5293 -8.4452 -8.4452 -8.3838 -8.3838 -8.3488 -8.3488 -8.3062 -8.3062 -8.2343 -8.2343 -7.2375 -7.2375 -7.1634 -7.1634 -0.2087 -0.2087 1.6443 1.6443 2.6027 2.6027 2.8153 2.8153 3.9350 3.9350 4.1917 4.1917 5.7761 5.7761 8.7604 8.7604 9.3904 9.3904 10.2376 10.2376 11.3416 11.3416 k = 0.5689 0.1301-0.4620 ( 2928 PWs) bands (ev): -8.9419 -8.9419 -8.8911 -8.8911 -8.8420 -8.8420 -8.8109 -8.8109 -8.5286 -8.5286 -8.4428 -8.4428 -8.3844 -8.3844 -8.3492 -8.3492 -8.3072 -8.3072 -8.2364 -8.2364 -7.2816 -7.2816 -7.2040 -7.2040 -0.2017 -0.2017 1.6902 1.6902 2.6662 2.6662 2.8962 2.8962 3.9752 3.9752 4.2274 4.2274 5.8188 5.8188 8.7726 8.7726 9.4375 9.4375 10.2652 10.2652 11.3243 11.3243 k = 0.5656 0.1294-0.4368 ( 2922 PWs) bands (ev): -8.9386 -8.9386 -8.8874 -8.8874 -8.8423 -8.8423 -8.8104 -8.8104 -8.5275 -8.5275 -8.4403 -8.4403 -8.3850 -8.3850 -8.3496 -8.3496 -8.3084 -8.3084 -8.2383 -8.2383 -7.3244 -7.3244 -7.2434 -7.2434 -0.1982 -0.1982 1.7216 1.7216 2.7454 2.7454 2.9835 2.9835 4.0155 4.0155 4.2629 4.2629 5.8584 5.8584 8.7758 8.7758 9.4831 9.4831 10.2896 10.2896 11.3045 11.3045 k = 0.5623 0.1286-0.4115 ( 2922 PWs) bands (ev): -8.9352 -8.9352 -8.8839 -8.8839 -8.8426 -8.8426 -8.8100 -8.8100 -8.5261 -8.5261 -8.4378 -8.4378 -8.3857 -8.3857 -8.3500 -8.3500 -8.3098 -8.3098 -8.2403 -8.2403 -7.3660 -7.3660 -7.2815 -7.2815 -0.1978 -0.1978 1.7406 1.7406 2.8384 2.8384 3.0762 3.0762 4.0556 4.0556 4.2982 4.2982 5.8949 5.8949 8.7686 8.7686 9.5265 9.5265 10.3107 10.3107 11.2825 11.2825 k = 0.5591 0.1279-0.3863 ( 2914 PWs) bands (ev): -8.9317 -8.9317 -8.8805 -8.8805 -8.8428 -8.8428 -8.8096 -8.8096 -8.5243 -8.5243 -8.4351 -8.4351 -8.3862 -8.3862 -8.3504 -8.3504 -8.3113 -8.3113 -8.2422 -8.2422 -7.4061 -7.4061 -7.3181 -7.3181 -0.1999 -0.1999 1.7497 1.7497 2.9426 2.9426 3.1734 3.1734 4.0955 4.0955 4.3329 4.3329 5.9285 5.9285 8.7503 8.7503 9.5666 9.5666 10.3284 10.3284 11.2583 11.2583 k = 0.5558 0.1271-0.3610 ( 2911 PWs) bands (ev): -8.9283 -8.9283 -8.8773 -8.8773 -8.8431 -8.8431 -8.8093 -8.8093 -8.5221 -8.5221 -8.4325 -8.4325 -8.3868 -8.3868 -8.3508 -8.3508 -8.3131 -8.3131 -8.2440 -8.2440 -7.4448 -7.4448 -7.3531 -7.3531 -0.2041 -0.2041 1.7514 1.7514 3.0550 3.0550 3.2742 3.2742 4.1348 4.1348 4.3671 4.3671 5.9592 5.9592 8.7205 8.7205 9.6012 9.6012 10.3429 10.3429 11.2324 11.2324 k = 0.5525 0.1264-0.3357 ( 2917 PWs) bands (ev): -8.9248 -8.9248 -8.8743 -8.8743 -8.8434 -8.8434 -8.8090 -8.8090 -8.5195 -8.5195 -8.4298 -8.4298 -8.3874 -8.3874 -8.3513 -8.3513 -8.3151 -8.3151 -8.2457 -8.2457 -7.4819 -7.4819 -7.3867 -7.3867 -0.2100 -0.2100 1.7479 1.7479 3.1734 3.1734 3.3777 3.3777 4.1736 4.1736 4.4004 4.4004 5.9871 5.9871 8.6796 8.6796 9.6276 9.6276 10.3552 10.3552 11.2049 11.2049 k = 0.5492 0.1256-0.3105 ( 2923 PWs) bands (ev): -8.9214 -8.9214 -8.8714 -8.8714 -8.8437 -8.8437 -8.8088 -8.8088 -8.5165 -8.5165 -8.4270 -8.4270 -8.3879 -8.3879 -8.3519 -8.3519 -8.3174 -8.3174 -8.2474 -8.2474 -7.5173 -7.5173 -7.4185 -7.4185 -0.2172 -0.2172 1.7409 1.7409 3.2956 3.2956 3.4832 3.4832 4.2115 4.2115 4.4328 4.4328 6.0124 6.0124 8.6283 8.6283 9.6421 9.6421 10.3676 10.3676 11.1763 11.1763 k = 0.5459 0.1249-0.2852 ( 2927 PWs) bands (ev): -8.9179 -8.9179 -8.8687 -8.8687 -8.8440 -8.8440 -8.8087 -8.8087 -8.5130 -8.5130 -8.4242 -8.4242 -8.3885 -8.3885 -8.3525 -8.3525 -8.3200 -8.3200 -8.2489 -8.2489 -7.5510 -7.5510 -7.4486 -7.4486 -0.2254 -0.2254 1.7315 1.7315 3.4199 3.4199 3.5897 3.5897 4.2484 4.2484 4.4641 4.4641 6.0352 6.0352 8.5676 8.5676 9.6413 9.6413 10.3832 10.3832 11.1470 11.1470 k = 0.5426 0.1241-0.2600 ( 2928 PWs) bands (ev): -8.9145 -8.9145 -8.8662 -8.8662 -8.8443 -8.8443 -8.8088 -8.8088 -8.5091 -8.5091 -8.4214 -8.4214 -8.3890 -8.3890 -8.3531 -8.3531 -8.3229 -8.3229 -8.2503 -8.2503 -7.5829 -7.5829 -7.4770 -7.4770 -0.2342 -0.2342 1.7206 1.7206 3.5447 3.5447 3.6967 3.6967 4.2842 4.2842 4.4942 4.4942 6.0557 6.0557 8.4989 8.4989 9.6231 9.6231 10.4052 10.4052 11.1173 11.1173 k = 0.5394 0.1234-0.2347 ( 2934 PWs) bands (ev): -8.9112 -8.9112 -8.8637 -8.8637 -8.8446 -8.8446 -8.8090 -8.8090 -8.5047 -8.5047 -8.4187 -8.4187 -8.3896 -8.3896 -8.3537 -8.3537 -8.3260 -8.3260 -8.2516 -8.2516 -7.6129 -7.6129 -7.5035 -7.5035 -0.2433 -0.2433 1.7091 1.7091 3.6685 3.6685 3.8033 3.8033 4.3185 4.3185 4.5227 4.5227 6.0739 6.0739 8.4237 8.4237 9.5874 9.5874 10.4350 10.4350 11.0878 11.0878 k = 0.5361 0.1226-0.2095 ( 2937 PWs) bands (ev): -8.9079 -8.9079 -8.8614 -8.8614 -8.8449 -8.8449 -8.8094 -8.8094 -8.4998 -8.4998 -8.4160 -8.4160 -8.3901 -8.3901 -8.3544 -8.3544 -8.3295 -8.3295 -8.2528 -8.2528 -7.6409 -7.6409 -7.5282 -7.5282 -0.2525 -0.2525 1.6973 1.6973 3.7896 3.7896 3.9089 3.9089 4.3513 4.3513 4.5497 4.5497 6.0901 6.0901 8.3437 8.3437 9.5370 9.5370 10.4723 10.4723 11.0589 11.0589 k = 0.5328 0.1219-0.1842 ( 2931 PWs) bands (ev): -8.9048 -8.9048 -8.8592 -8.8592 -8.8451 -8.8451 -8.8099 -8.8099 -8.4945 -8.4945 -8.4133 -8.4133 -8.3907 -8.3907 -8.3550 -8.3550 -8.3332 -8.3332 -8.2538 -8.2538 -7.6668 -7.6668 -7.5508 -7.5508 -0.2616 -0.2616 1.6858 1.6858 3.9064 3.9064 4.0130 4.0130 4.3823 4.3823 4.5750 4.5750 6.1043 6.1043 8.2604 8.2604 9.4755 9.4755 10.5153 10.5153 11.0311 11.0311 k = 0.5295 0.1211-0.1590 ( 2932 PWs) bands (ev): -8.9019 -8.9019 -8.8570 -8.8570 -8.8454 -8.8454 -8.8106 -8.8106 -8.4887 -8.4887 -8.4107 -8.4107 -8.3914 -8.3914 -8.3558 -8.3558 -8.3371 -8.3371 -8.2547 -8.2547 -7.6906 -7.6906 -7.5715 -7.5715 -0.2703 -0.2703 1.6747 1.6747 4.0168 4.0168 4.1152 4.1152 4.4114 4.4114 4.5984 4.5984 6.1167 6.1167 8.1758 8.1758 9.4073 9.4073 10.5616 10.5616 11.0050 11.0050 k = 0.5262 0.1204-0.1337 ( 2930 PWs) bands (ev): -8.8991 -8.8991 -8.8549 -8.8549 -8.8456 -8.8456 -8.8115 -8.8115 -8.4827 -8.4827 -8.4082 -8.4082 -8.3922 -8.3922 -8.3565 -8.3565 -8.3412 -8.3412 -8.2555 -8.2555 -7.7121 -7.7121 -7.5902 -7.5902 -0.2786 -0.2786 1.6644 1.6644 4.1189 4.1189 4.2146 4.2146 4.4385 4.4385 4.6199 4.6199 6.1274 6.1274 8.0916 8.0916 9.3363 9.3363 10.6086 10.6086 10.9812 10.9812 k = 0.5230 0.1196-0.1084 ( 2926 PWs) bands (ev): -8.8966 -8.8966 -8.8529 -8.8529 -8.8459 -8.8459 -8.8125 -8.8125 -8.4763 -8.4763 -8.4059 -8.4059 -8.3932 -8.3932 -8.3573 -8.3573 -8.3452 -8.3452 -8.2562 -8.2562 -7.7313 -7.7313 -7.6067 -7.6067 -0.2861 -0.2861 1.6549 1.6549 4.2111 4.2111 4.3101 4.3101 4.4636 4.4636 4.6395 4.6395 6.1365 6.1365 8.0097 8.0097 9.2659 9.2659 10.6540 10.6540 10.9604 10.9604 k = 0.5197 0.1189-0.0832 ( 2922 PWs) bands (ev): -8.8943 -8.8943 -8.8510 -8.8510 -8.8461 -8.8461 -8.8137 -8.8137 -8.4698 -8.4698 -8.4038 -8.4038 -8.3945 -8.3945 -8.3582 -8.3582 -8.3492 -8.3492 -8.2568 -8.2568 -7.7482 -7.7482 -7.6212 -7.6212 -0.2929 -0.2929 1.6465 1.6465 4.2922 4.2922 4.3991 4.3991 4.4870 4.4870 4.6571 4.6571 6.1441 6.1441 7.9323 7.9323 9.1989 9.1989 10.6955 10.6955 10.9434 10.9434 k = 0.5164 0.1181-0.0579 ( 2923 PWs) bands (ev): -8.8924 -8.8924 -8.8491 -8.8491 -8.8462 -8.8462 -8.8150 -8.8150 -8.4632 -8.4632 -8.4020 -8.4020 -8.3961 -8.3961 -8.3590 -8.3590 -8.3528 -8.3528 -8.2573 -8.2573 -7.7625 -7.7625 -7.6334 -7.6334 -0.2989 -0.2989 1.6392 1.6392 4.3613 4.3613 4.4770 4.4770 4.5108 4.5108 4.6730 4.6730 6.1503 6.1503 7.8614 7.8614 9.1380 9.1380 10.7307 10.7307 10.9311 10.9311 k = 0.5131 0.1174-0.0327 ( 2923 PWs) bands (ev): -8.8907 -8.8907 -8.8475 -8.8475 -8.8463 -8.8463 -8.8162 -8.8162 -8.4567 -8.4567 -8.4006 -8.4006 -8.3981 -8.3981 -8.3598 -8.3598 -8.3559 -8.3559 -8.2577 -8.2577 -7.7744 -7.7744 -7.6435 -7.6435 -0.3038 -0.3038 1.6332 1.6332 4.4171 4.4171 4.5210 4.5210 4.5551 4.5551 4.6877 4.6877 6.1553 6.1553 7.7992 7.7992 9.0851 9.0851 10.7579 10.7579 10.9243 10.9243 k = 0.5098 0.1166-0.0074 ( 2922 PWs) bands (ev): -8.8894 -8.8894 -8.8467 -8.8467 -8.8456 -8.8456 -8.8174 -8.8174 -8.4505 -8.4505 -8.4011 -8.4011 -8.3990 -8.3990 -8.3605 -8.3605 -8.3584 -8.3584 -8.2580 -8.2580 -7.7837 -7.7837 -7.6514 -7.6514 -0.3078 -0.3078 1.6284 1.6284 4.4584 4.4584 4.5417 4.5417 4.6063 4.6063 4.7023 4.7023 6.1591 6.1591 7.7480 7.7480 9.0421 9.0421 10.7760 10.7760 10.9231 10.9231 k = 0.5066 0.1159 0.0178 ( 2922 PWs) bands (ev): -8.8885 -8.8885 -8.8467 -8.8467 -8.8444 -8.8444 -8.8184 -8.8184 -8.4452 -8.4452 -8.4036 -8.4036 -8.3983 -8.3983 -8.3612 -8.3612 -8.3601 -8.3601 -8.2582 -8.2582 -7.7903 -7.7903 -7.6570 -7.6570 -0.3106 -0.3106 1.6250 1.6250 4.4852 4.4852 4.5589 4.5589 4.6412 4.6412 4.7174 4.7174 6.1617 6.1617 7.7097 7.7097 9.0103 9.0103 10.7863 10.7863 10.9255 10.9255 k = 0.5033 0.1151 0.0431 ( 2930 PWs) bands (ev): -8.8879 -8.8879 -8.8468 -8.8468 -8.8437 -8.8437 -8.8191 -8.8191 -8.4413 -8.4413 -8.4059 -8.4059 -8.3979 -8.3979 -8.3617 -8.3617 -8.3610 -8.3610 -8.2584 -8.2584 -7.7944 -7.7944 -7.6604 -7.6604 -0.3123 -0.3123 1.6229 1.6229 4.4994 4.4994 4.5712 4.5712 4.6591 4.6591 4.7303 4.7303 6.1633 6.1633 7.6860 7.6860 8.9908 8.9908 10.7909 10.7909 10.9286 10.9286 k = 0.5000 0.1144 0.0683 ( 2930 PWs) bands (ev): -8.8878 -8.8878 -8.8468 -8.8468 -8.8434 -8.8434 -8.8194 -8.8194 -8.4399 -8.4399 -8.4068 -8.4068 -8.3977 -8.3977 -8.3619 -8.3619 -8.3612 -8.3612 -8.2584 -8.2584 -7.7957 -7.7957 -7.6615 -7.6615 -0.3129 -0.3129 1.6222 1.6222 4.5038 4.5038 4.5756 4.5756 4.6643 4.6643 4.7355 4.7355 6.1638 6.1638 7.6780 7.6780 8.9842 8.9842 10.7922 10.7922 10.9300 10.9300 k = 0.5000-1.0356-0.6188 ( 2922 PWs) bands (ev): -8.9880 -8.9880 -8.9820 -8.9820 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4826 -8.4826 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1552 -6.1552 -6.1422 -6.1422 -1.2163 -1.2163 -0.6247 -0.6247 2.5256 2.5256 3.0839 3.0839 3.3626 3.3626 3.4231 3.4231 4.7552 4.7552 7.8482 7.8482 8.6693 8.6693 8.9855 8.9855 11.5523 11.5523 k = 0.5230-1.0274-0.6139 ( 2930 PWs) bands (ev): -8.9880 -8.9880 -8.9820 -8.9820 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4826 -8.4826 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1565 -6.1565 -6.1410 -6.1410 -1.2170 -1.2170 -0.6239 -0.6239 2.5270 2.5270 3.0845 3.0845 3.3600 3.3600 3.4259 3.4259 4.7519 4.7519 7.8519 7.8519 8.6630 8.6630 8.9879 8.9879 11.5502 11.5502 k = 0.5459-1.0193-0.6090 ( 2932 PWs) bands (ev): -8.9881 -8.9881 -8.9820 -8.9820 -8.8373 -8.8373 -8.8161 -8.8161 -8.5132 -8.5132 -8.4826 -8.4826 -8.3660 -8.3660 -8.3459 -8.3459 -8.2979 -8.2979 -8.1967 -8.1967 -6.1596 -6.1596 -6.1381 -6.1381 -1.2192 -1.2192 -0.6216 -0.6216 2.5310 2.5310 3.0859 3.0859 3.3533 3.3533 3.4330 3.4330 4.7420 4.7420 7.8626 7.8626 8.6449 8.6449 8.9944 8.9944 11.5438 11.5438 k = 0.5689-1.0111-0.6041 ( 2925 PWs) bands (ev): -8.9882 -8.9882 -8.9819 -8.9819 -8.8372 -8.8372 -8.8161 -8.8161 -8.5131 -8.5131 -8.4826 -8.4826 -8.3660 -8.3660 -8.3458 -8.3458 -8.2979 -8.2979 -8.1967 -8.1967 -6.1634 -6.1634 -6.1346 -6.1346 -1.2228 -1.2228 -0.6178 -0.6178 2.5377 2.5377 3.0883 3.0883 3.3443 3.3443 3.4426 3.4426 4.7259 4.7259 7.8801 7.8801 8.6171 8.6171 9.0033 9.0033 11.5331 11.5331 k = 0.5919-1.0029-0.5992 ( 2917 PWs) bands (ev): -8.9883 -8.9883 -8.9817 -8.9817 -8.8372 -8.8372 -8.8161 -8.8161 -8.5131 -8.5131 -8.4826 -8.4826 -8.3660 -8.3660 -8.3458 -8.3458 -8.2979 -8.2979 -8.1967 -8.1967 -6.1675 -6.1675 -6.1310 -6.1310 -1.2276 -1.2276 -0.6127 -0.6127 2.5471 2.5471 3.0912 3.0912 3.3343 3.3343 3.4534 3.4534 4.7042 4.7042 7.9038 7.9038 8.5819 8.5819 9.0129 9.0129 11.5184 11.5184 k = 0.6148-0.9947-0.5944 ( 2921 PWs) bands (ev): -8.9885 -8.9885 -8.9815 -8.9815 -8.8372 -8.8372 -8.8161 -8.8161 -8.5130 -8.5130 -8.4827 -8.4827 -8.3660 -8.3660 -8.3458 -8.3458 -8.2979 -8.2979 -8.1967 -8.1967 -6.1717 -6.1717 -6.1273 -6.1273 -1.2334 -1.2334 -0.6065 -0.6065 2.5592 2.5592 3.0943 3.0943 3.3240 3.3240 3.4648 3.4648 4.6777 4.6777 7.9330 7.9330 8.5414 8.5414 9.0218 9.0218 11.5003 11.5003 k = 0.6378-0.9866-0.5895 ( 2925 PWs) bands (ev): -8.9887 -8.9887 -8.9813 -8.9813 -8.8371 -8.8371 -8.8161 -8.8161 -8.5130 -8.5130 -8.4827 -8.4827 -8.3660 -8.3660 -8.3458 -8.3458 -8.2979 -8.2979 -8.1967 -8.1967 -6.1760 -6.1760 -6.1236 -6.1236 -1.2400 -1.2400 -0.5994 -0.5994 2.5739 2.5739 3.0974 3.0974 3.3137 3.3137 3.4763 3.4763 4.6474 4.6474 7.9665 7.9665 8.4975 8.4975 9.0291 9.0291 11.4795 11.4795 k = 0.6607-0.9784-0.5846 ( 2929 PWs) bands (ev): -8.9889 -8.9889 -8.9812 -8.9812 -8.8371 -8.8371 -8.8161 -8.8161 -8.5129 -8.5129 -8.4827 -8.4827 -8.3661 -8.3661 -8.3458 -8.3458 -8.2980 -8.2980 -8.1967 -8.1967 -6.1804 -6.1804 -6.1201 -6.1201 -1.2471 -1.2471 -0.5916 -0.5916 2.5914 2.5914 3.0997 3.0997 3.3036 3.3036 3.4878 3.4878 4.6144 4.6144 8.0033 8.0033 8.4518 8.4518 9.0342 9.0342 11.4566 11.4566 k = 0.6837-0.9702-0.5797 ( 2925 PWs) bands (ev): -8.9890 -8.9890 -8.9809 -8.9809 -8.8371 -8.8371 -8.8161 -8.8161 -8.5128 -8.5128 -8.4828 -8.4828 -8.3661 -8.3661 -8.3458 -8.3458 -8.2979 -8.2979 -8.1967 -8.1967 -6.1848 -6.1848 -6.1166 -6.1166 -1.2546 -1.2546 -0.5834 -0.5834 2.6114 2.6114 3.1010 3.1010 3.2940 3.2940 3.4990 3.4990 4.5797 4.5797 8.0414 8.0414 8.4065 8.4065 9.0371 9.0371 11.4325 11.4325 k = 0.7067-0.9621-0.5748 ( 2927 PWs) bands (ev): -8.9892 -8.9892 -8.9807 -8.9807 -8.8370 -8.8370 -8.8161 -8.8161 -8.5128 -8.5128 -8.4828 -8.4828 -8.3661 -8.3661 -8.3458 -8.3458 -8.2979 -8.2979 -8.1968 -8.1968 -6.1892 -6.1892 -6.1133 -6.1133 -1.2621 -1.2621 -0.5750 -0.5750 2.6340 2.6340 3.1005 3.1005 3.2848 3.2848 3.5099 3.5099 4.5447 4.5447 8.0784 8.0784 8.3641 8.3641 9.0377 9.0377 11.4078 11.4078 k = 0.7296-0.9539-0.5700 ( 2929 PWs) bands (ev): -8.9894 -8.9894 -8.9804 -8.9804 -8.8370 -8.8370 -8.8161 -8.8161 -8.5127 -8.5127 -8.4829 -8.4829 -8.3661 -8.3661 -8.3458 -8.3458 -8.2979 -8.2979 -8.1968 -8.1968 -6.1936 -6.1936 -6.1101 -6.1101 -1.2695 -1.2695 -0.5666 -0.5666 2.6589 2.6589 3.0979 3.0979 3.2761 3.2761 3.5202 3.5202 4.5103 4.5103 8.1093 8.1093 8.3296 8.3296 9.0361 9.0361 11.3830 11.3830 k = 0.7526-0.9457-0.5651 ( 2936 PWs) bands (ev): -8.9896 -8.9896 -8.9802 -8.9802 -8.8370 -8.8370 -8.8161 -8.8161 -8.5126 -8.5126 -8.4829 -8.4829 -8.3662 -8.3662 -8.3458 -8.3458 -8.2980 -8.2980 -8.1969 -8.1969 -6.1979 -6.1979 -6.1071 -6.1071 -1.2765 -1.2765 -0.5583 -0.5583 2.6858 2.6858 3.0926 3.0926 3.2680 3.2680 3.5300 3.5300 4.4777 4.4777 8.1250 8.1250 8.3119 8.3119 9.0325 9.0325 11.3588 11.3588 k = 0.7756-0.9376-0.5602 ( 2934 PWs) bands (ev): -8.9898 -8.9898 -8.9800 -8.9800 -8.8369 -8.8369 -8.8161 -8.8161 -8.5125 -8.5125 -8.4830 -8.4830 -8.3662 -8.3662 -8.3458 -8.3458 -8.2980 -8.2980 -8.1969 -8.1969 -6.2022 -6.2022 -6.1043 -6.1043 -1.2830 -1.2830 -0.5503 -0.5503 2.7144 2.7144 3.0845 3.0845 3.2606 3.2606 3.5392 3.5392 4.4479 4.4479 8.1177 8.1177 8.3188 8.3188 9.0269 9.0269 11.3356 11.3356 k = 0.7985-0.9294-0.5553 ( 2938 PWs) bands (ev): -8.9900 -8.9900 -8.9798 -8.9798 -8.8369 -8.8369 -8.8161 -8.8161 -8.5124 -8.5124 -8.4830 -8.4830 -8.3662 -8.3662 -8.3458 -8.3458 -8.2980 -8.2980 -8.1969 -8.1969 -6.2065 -6.2065 -6.1016 -6.1016 -1.2888 -1.2888 -0.5428 -0.5428 2.7439 2.7439 3.0735 3.0735 3.2538 3.2538 3.5477 3.5477 4.4217 4.4217 8.0928 8.0928 8.3446 8.3446 9.0197 9.0197 11.3139 11.3139 k = 0.8215-0.9212-0.5504 ( 2939 PWs) bands (ev): -8.9902 -8.9902 -8.9796 -8.9796 -8.8369 -8.8369 -8.8162 -8.8161 -8.5123 -8.5123 -8.4831 -8.4831 -8.3662 -8.3662 -8.3458 -8.3458 -8.2979 -8.2979 -8.1970 -8.1970 -6.2107 -6.2107 -6.0992 -6.0992 -1.2937 -1.2937 -0.5359 -0.5359 2.7734 2.7734 3.0603 3.0603 3.2478 3.2478 3.5554 3.5554 4.3997 4.3997 8.0607 8.0607 8.3789 8.3789 9.0110 9.0110 11.2940 11.2940 Writing output data file GaS.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 175.82s CPU 177.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 175.82s CPU 177.64s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 329 calls) cegterg : 157.46s CPU 158.85s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 131.77s CPU 133.26s WALL ( 6014 calls) s_psi : 3.49s CPU 3.50s WALL ( 6014 calls) g_psi : 0.15s CPU 0.13s WALL ( 5317 calls) cdiaghg : 29.88s CPU 30.11s WALL ( 5646 calls) cegterg:over : 3.04s CPU 3.10s WALL ( 5317 calls) cegterg:upda : 2.32s CPU 2.29s WALL ( 5317 calls) cegterg:last : 1.49s CPU 1.47s WALL ( 1026 calls) cdiaghg:chol : 1.72s CPU 1.68s WALL ( 5646 calls) cdiaghg:inve : 1.09s CPU 1.03s WALL ( 5646 calls) cdiaghg:para : 1.78s CPU 1.73s WALL ( 11292 calls) Called by h_psi: h_psi:vloc : 123.97s CPU 125.51s WALL ( 6014 calls) h_psi:vnl : 7.69s CPU 7.62s WALL ( 6014 calls) add_vuspsi : 4.09s CPU 4.11s WALL ( 6014 calls) General routines calbec : 3.58s CPU 3.49s WALL ( 6014 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.48s CPU 116.06s WALL ( 586064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 658 calls) Parallel routines fft_scatter : 24.70s CPU 25.06s WALL ( 586087 calls) PWSCF : 3m 8.56s CPU 3m30.28s WALL This run was terminated on: 19:10:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=