Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:41:50 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: ./Ca2NCl.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 35 10 1391 592 98 Max 62 36 11 1394 610 99 Sum 2225 1269 385 50123 21641 3533 bravais-lattice index = 14 lattice parameter (alat) = 13.0445 a.u. unit-cell volume = 516.0873 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.044500 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.858967 celldm(5)= 0.858967 celldm(6)= 0.858967 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.858967 0.512031 0.000000 ) a(3) = ( 0.858967 0.236593 0.454092 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.677567 -1.017561 ) b(2) = ( 0.000000 1.953006 -1.017561 ) b(3) = ( 0.000000 0.000000 2.202195 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 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= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098039 -0.0164467 -0.0099761), wk = 0.0030211 k( 3) = ( 0.0196078 -0.0328935 -0.0199522), wk = 0.0030211 k( 4) = ( 0.0294118 -0.0493402 -0.0299283), wk = 0.0030211 k( 5) = ( 0.0392157 -0.0657869 -0.0399044), wk = 0.0030211 k( 6) = ( 0.0490196 -0.0822337 -0.0498804), wk = 0.0030211 k( 7) = ( 0.0588235 -0.0986804 -0.0598565), wk = 0.0030211 k( 8) = ( 0.0686275 -0.1151271 -0.0698326), wk = 0.0030211 k( 9) = ( 0.0784314 -0.1315739 -0.0798087), wk = 0.0030211 k( 10) = ( 0.0882353 -0.1480206 -0.0897848), wk = 0.0030211 k( 11) = ( 0.0980392 -0.1644674 -0.0997609), wk = 0.0030211 k( 12) = ( 0.1078431 -0.1809141 -0.1097370), wk = 0.0030211 k( 13) = ( 0.1176471 -0.1973608 -0.1197131), wk = 0.0030211 k( 14) = ( 0.1274510 -0.2138076 -0.1296891), wk = 0.0030211 k( 15) = ( 0.1372549 -0.2302543 -0.1396652), wk = 0.0030211 k( 16) = ( 0.1470588 -0.2467010 -0.1496413), wk = 0.0030211 k( 17) = ( 0.1568627 -0.2631478 -0.1596174), wk = 0.0030211 k( 18) = ( 0.1666667 -0.2795945 -0.1695935), wk = 0.0030211 k( 19) = ( 0.1764706 -0.2960412 -0.1795696), wk = 0.0030211 k( 20) = ( 0.1862745 -0.3124880 -0.1895457), wk = 0.0030211 k( 21) = ( 0.1960784 -0.3289347 -0.1995218), wk = 0.0030211 k( 22) = ( 0.2058823 -0.3453814 -0.2094978), wk = 0.0030211 k( 23) = ( 0.2156863 -0.3618282 -0.2194739), wk = 0.0030211 k( 24) = ( 0.2254902 -0.3782749 -0.2294500), wk = 0.0030211 k( 25) = ( 0.2352941 -0.3947216 -0.2394261), wk = 0.0030211 k( 26) = ( 0.2450980 -0.4111684 -0.2494022), wk = 0.0030211 k( 27) = ( 0.2549020 -0.4276151 -0.2593783), wk = 0.0030211 k( 28) = ( 0.2647059 -0.4440618 -0.2693544), wk = 0.0030211 k( 29) = ( 0.2745098 -0.4605086 -0.2793305), wk = 0.0030211 k( 30) = ( 0.2843137 -0.4769553 -0.2893066), wk = 0.0030211 k( 31) = ( 0.2941177 -0.4934020 -0.2992826), wk = 0.0030211 k( 32) = ( 0.3039216 -0.5098488 -0.3092587), wk = 0.0030211 k( 33) = ( 0.3137255 -0.5262955 -0.3192348), wk = 0.0030211 k( 34) = ( 0.3235294 -0.5427422 -0.3292109), wk = 0.0030211 k( 35) = ( 0.3333333 -0.5591890 -0.3391870), wk = 0.0030211 k( 36) = ( 0.3431373 -0.5756357 -0.3491631), wk = 0.0030211 k( 37) = ( 0.3529412 -0.5920825 -0.3591392), wk = 0.0030211 k( 38) = ( 0.3627451 -0.6085292 -0.3691153), wk = 0.0030211 k( 39) = ( 0.3725490 -0.6249759 -0.3790913), wk = 0.0030211 k( 40) = ( 0.3823529 -0.6414227 -0.3890674), wk = 0.0030211 k( 41) = ( 0.3921569 -0.6578694 -0.3990435), wk = 0.0030211 k( 42) = ( 0.4019608 -0.6743161 -0.4090196), wk = 0.0030211 k( 43) = ( 0.4117647 -0.6907629 -0.4189957), wk = 0.0030211 k( 44) = ( 0.4215686 -0.7072096 -0.4289718), wk = 0.0030211 k( 45) = ( 0.4313726 -0.7236563 -0.4389479), wk = 0.0030211 k( 46) = ( 0.4411765 -0.7401031 -0.4489240), wk = 0.0030211 k( 47) = ( 0.4509804 -0.7565498 -0.4589000), wk = 0.0030211 k( 48) = ( 0.4607843 -0.7729965 -0.4688761), wk = 0.0030211 k( 49) = ( 0.4705882 -0.7894433 -0.4788522), wk = 0.0030211 k( 50) = ( 0.4803922 -0.8058900 -0.4888283), wk = 0.0030211 k( 51) = ( 0.4901961 -0.8223367 -0.4988044), wk = 0.0030211 k( 52) = ( 0.5000000 -0.8387835 -0.5087805), wk = 0.0030211 k( 53) = ( 0.5000000 -0.8387835 -0.5087805), wk = 0.0030211 k( 54) = ( 0.5000000 -0.8275559 -0.5272904), wk = 0.0030211 k( 55) = ( 0.5000000 -0.8163284 -0.5458003), wk = 0.0030211 k( 56) = ( 0.5000000 -0.8051008 -0.5643102), wk = 0.0030211 k( 57) = ( 0.5000000 -0.7938733 -0.5828201), wk = 0.0030211 k( 58) = ( 0.5000000 -0.7826458 -0.6013300), wk = 0.0030211 k( 59) = ( 0.5000000 -0.7714182 -0.6198399), wk = 0.0030211 k( 60) = ( 0.5000000 -0.7601907 -0.6383498), wk = 0.0030211 k( 61) = ( 0.5000000 -0.7489631 -0.6568597), wk = 0.0030211 k( 62) = ( 0.5000000 -0.7377356 -0.6753696), wk = 0.0030211 k( 63) = ( 0.5000000 -0.7265080 -0.6938795), wk = 0.0030211 k( 64) = ( 0.5000000 -0.7152805 -0.7123894), wk = 0.0030211 k( 65) = ( 0.5000000 -0.7040530 -0.7308993), wk = 0.0030211 k( 66) = ( 0.5000000 -0.6928254 -0.7494092), wk = 0.0030211 k( 67) = ( 0.5000000 -0.6815979 -0.7679191), wk = 0.0030211 k( 68) = ( 0.5000000 -0.6703703 -0.7864290), wk = 0.0030211 k( 69) = ( 0.5000000 -0.6591428 -0.8049389), wk = 0.0030211 k( 70) = ( 0.5000000 -0.6479153 -0.8234488), wk = 0.0030211 k( 71) = ( 0.5000000 -0.6366877 -0.8419587), wk = 0.0030211 k( 72) = ( 0.5000000 -0.6254602 -0.8604686), wk = 0.0030211 k( 73) = ( 0.5000000 -0.6142326 -0.8789785), wk = 0.0030211 k( 74) = ( 0.5000000 -0.6030051 -0.8974884), wk = 0.0030211 k( 75) = ( 0.5000000 -0.5917776 -0.9159983), wk = 0.0030211 k( 76) = ( 0.5000000 -0.5805500 -0.9345082), wk = 0.0030211 k( 77) = ( 0.5000000 -0.5693225 -0.9530181), wk = 0.0030211 k( 78) = ( 0.5000000 -0.5580949 -0.9715280), wk = 0.0030211 k( 79) = ( 0.5000000 -0.5468674 -0.9900379), wk = 0.0030211 k( 80) = ( 0.5000000 -0.5356398 -1.0085478), wk = 0.0030211 k( 81) = ( 0.5000000 -0.5244123 -1.0270577), wk = 0.0030211 k( 82) = ( 0.5000000 -0.5131848 -1.0455676), wk = 0.0030211 k( 83) = ( 0.5000000 -0.5019572 -1.0640775), wk = 0.0030211 k( 84) = ( 0.5000000 -0.4907297 -1.0825874), wk = 0.0030211 k( 85) = ( 0.5000000 -0.4795021 -1.1010973), wk = 0.0030211 k( 86) = ( 0.8160367 -0.3924534 -0.9340246), wk = 0.0030211 k( 87) = ( 0.8102906 -0.3828139 -0.9155235), wk = 0.0030211 k( 88) = ( 0.8045445 -0.3731744 -0.8970224), wk = 0.0030211 k( 89) = ( 0.7987983 -0.3635349 -0.8785213), wk = 0.0030211 k( 90) = ( 0.7930522 -0.3538954 -0.8600202), wk = 0.0030211 k( 91) = ( 0.7873061 -0.3442559 -0.8415191), wk = 0.0030211 k( 92) = ( 0.7815600 -0.3346164 -0.8230180), wk = 0.0030211 k( 93) = ( 0.7758139 -0.3249769 -0.8045169), wk = 0.0030211 k( 94) = ( 0.7700677 -0.3153374 -0.7860157), wk = 0.0030211 k( 95) = ( 0.7643216 -0.3056979 -0.7675146), wk = 0.0030211 k( 96) = ( 0.7585755 -0.2960584 -0.7490135), wk = 0.0030211 k( 97) = ( 0.7528294 -0.2864189 -0.7305124), wk = 0.0030211 k( 98) = ( 0.7470832 -0.2767794 -0.7120113), wk = 0.0030211 k( 99) = ( 0.7413371 -0.2671398 -0.6935102), wk = 0.0030211 k( 100) = ( 0.7355910 -0.2575003 -0.6750091), wk = 0.0030211 k( 101) = ( 0.7298449 -0.2478608 -0.6565080), wk = 0.0030211 k( 102) = ( 0.7240988 -0.2382213 -0.6380069), wk = 0.0030211 k( 103) = ( 0.7183526 -0.2285818 -0.6195058), wk = 0.0030211 k( 104) = ( 0.7126065 -0.2189423 -0.6010047), wk = 0.0030211 k( 105) = ( 0.7068604 -0.2093028 -0.5825036), wk = 0.0030211 k( 106) = ( 0.7011143 -0.1996633 -0.5640025), wk = 0.0030211 k( 107) = ( 0.6953681 -0.1900238 -0.5455013), wk = 0.0030211 k( 108) = ( 0.6896220 -0.1803843 -0.5270002), wk = 0.0030211 k( 109) = ( 0.6838759 -0.1707448 -0.5084991), wk = 0.0030211 k( 110) = ( 0.6781298 -0.1611053 -0.4899980), wk = 0.0030211 k( 111) = ( 0.6723837 -0.1514658 -0.4714969), wk = 0.0030211 k( 112) = ( 0.6666375 -0.1418263 -0.4529958), wk = 0.0030211 k( 113) = ( 0.6608914 -0.1321868 -0.4344947), wk = 0.0030211 k( 114) = ( 0.6551453 -0.1225473 -0.4159936), wk = 0.0030211 k( 115) = ( 0.6493992 -0.1129078 -0.3974925), wk = 0.0030211 k( 116) = ( 0.6436530 -0.1032683 -0.3789914), wk = 0.0030211 k( 117) = ( 0.6379069 -0.0936288 -0.3604903), wk = 0.0030211 k( 118) = ( 0.6321608 -0.0839893 -0.3419892), wk = 0.0030211 k( 119) = ( 0.6264147 -0.0743498 -0.3234880), wk = 0.0030211 k( 120) = ( 0.6206686 -0.0647103 -0.3049869), wk = 0.0030211 k( 121) = ( 0.6149224 -0.0550708 -0.2864858), wk = 0.0030211 k( 122) = ( 0.6091763 -0.0454313 -0.2679847), wk = 0.0030211 k( 123) = ( 0.6034302 -0.0357918 -0.2494836), wk = 0.0030211 k( 124) = ( 0.5976841 -0.0261522 -0.2309825), wk = 0.0030211 k( 125) = ( 0.5919380 -0.0165127 -0.2124814), wk = 0.0030211 k( 126) = ( 0.5861918 -0.0068732 -0.1939803), wk = 0.0030211 k( 127) = ( 0.5804457 0.0027663 -0.1754792), wk = 0.0030211 k( 128) = ( 0.5746996 0.0124058 -0.1569781), wk = 0.0030211 k( 129) = ( 0.5689535 0.0220453 -0.1384769), wk = 0.0030211 k( 130) = ( 0.5632073 0.0316848 -0.1199758), wk = 0.0030211 k( 131) = ( 0.5574612 0.0413243 -0.1014747), wk = 0.0030211 k( 132) = ( 0.5517151 0.0509638 -0.0829736), wk = 0.0030211 k( 133) = ( 0.5459690 0.0606033 -0.0644725), wk = 0.0030211 k( 134) = ( 0.5402229 0.0702428 -0.0459714), wk = 0.0030211 k( 135) = ( 0.5344767 0.0798823 -0.0274703), wk = 0.0030211 k( 136) = ( 0.5287306 0.0895218 -0.0089692), wk = 0.0030211 k( 137) = ( 0.5229845 0.0991613 0.0095319), wk = 0.0030211 k( 138) = ( 0.5172384 0.1088008 0.0280330), wk = 0.0030211 k( 139) = ( 0.5114922 0.1184403 0.0465341), wk = 0.0030211 k( 140) = ( 0.5057461 0.1280798 0.0650352), wk = 0.0030211 k( 141) = ( 0.5000000 0.1377193 0.0835363), wk = 0.0030211 k( 142) = ( 0.5000000 0.1377193 0.0835363), wk = 0.0030211 k( 143) = ( 0.4791667 0.1319810 0.0800557), wk = 0.0030211 k( 144) = ( 0.4583333 0.1262427 0.0765750), wk = 0.0030211 k( 145) = ( 0.4375000 0.1205044 0.0730943), wk = 0.0030211 k( 146) = ( 0.4166667 0.1147661 0.0696136), wk = 0.0030211 k( 147) = ( 0.3958333 0.1090278 0.0661329), wk = 0.0030211 k( 148) = ( 0.3750000 0.1032895 0.0626523), wk = 0.0030211 k( 149) = ( 0.3541667 0.0975512 0.0591716), wk = 0.0030211 k( 150) = ( 0.3333333 0.0918129 0.0556909), wk = 0.0030211 k( 151) = ( 0.3125000 0.0860746 0.0522102), wk = 0.0030211 k( 152) = ( 0.2916667 0.0803363 0.0487295), wk = 0.0030211 k( 153) = ( 0.2708333 0.0745980 0.0452489), wk = 0.0030211 k( 154) = ( 0.2500000 0.0688597 0.0417682), wk = 0.0030211 k( 155) = ( 0.2291667 0.0631214 0.0382875), wk = 0.0030211 k( 156) = ( 0.2083333 0.0573831 0.0348068), wk = 0.0030211 k( 157) = ( 0.1875000 0.0516447 0.0313261), wk = 0.0030211 k( 158) = ( 0.1666667 0.0459064 0.0278454), wk = 0.0030211 k( 159) = ( 0.1458333 0.0401681 0.0243648), wk = 0.0030211 k( 160) = ( 0.1250000 0.0344298 0.0208841), wk = 0.0030211 k( 161) = ( 0.1041667 0.0286915 0.0174034), wk = 0.0030211 k( 162) = ( 0.0833333 0.0229532 0.0139227), wk = 0.0030211 k( 163) = ( 0.0625000 0.0172149 0.0104420), wk = 0.0030211 k( 164) = ( 0.0416667 0.0114766 0.0069614), wk = 0.0030211 k( 165) = ( 0.0208333 0.0057383 0.0034807), wk = 0.0030211 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 168) = ( 0.0057963 -0.0097237 -0.0186627), wk = 0.0030211 k( 169) = ( 0.0115926 -0.0194474 -0.0373253), wk = 0.0030211 k( 170) = ( 0.0173889 -0.0291710 -0.0559880), wk = 0.0030211 k( 171) = ( 0.0231852 -0.0388947 -0.0746507), wk = 0.0030211 k( 172) = ( 0.0289815 -0.0486184 -0.0933133), wk = 0.0030211 k( 173) = ( 0.0347778 -0.0583421 -0.1119760), wk = 0.0030211 k( 174) = ( 0.0405741 -0.0680658 -0.1306387), wk = 0.0030211 k( 175) = ( 0.0463704 -0.0777894 -0.1493013), wk = 0.0030211 k( 176) = ( 0.0521667 -0.0875131 -0.1679640), wk = 0.0030211 k( 177) = ( 0.0579630 -0.0972368 -0.1866267), wk = 0.0030211 k( 178) = ( 0.0637593 -0.1069605 -0.2052893), wk = 0.0030211 k( 179) = ( 0.0695556 -0.1166842 -0.2239520), wk = 0.0030211 k( 180) = ( 0.0753519 -0.1264078 -0.2426147), wk = 0.0030211 k( 181) = ( 0.0811482 -0.1361315 -0.2612773), wk = 0.0030211 k( 182) = ( 0.0869445 -0.1458552 -0.2799400), wk = 0.0030211 k( 183) = ( 0.0927408 -0.1555789 -0.2986026), wk = 0.0030211 k( 184) = ( 0.0985371 -0.1653025 -0.3172653), wk = 0.0030211 k( 185) = ( 0.1043334 -0.1750262 -0.3359280), wk = 0.0030211 k( 186) = ( 0.1101297 -0.1847499 -0.3545907), wk = 0.0030211 k( 187) = ( 0.1159260 -0.1944736 -0.3732533), wk = 0.0030211 k( 188) = ( 0.1217223 -0.2041973 -0.3919160), wk = 0.0030211 k( 189) = ( 0.1275186 -0.2139210 -0.4105787), wk = 0.0030211 k( 190) = ( 0.1333149 -0.2236446 -0.4292413), wk = 0.0030211 k( 191) = ( 0.1391112 -0.2333683 -0.4479040), wk = 0.0030211 k( 192) = ( 0.1449075 -0.2430920 -0.4665667), wk = 0.0030211 k( 193) = ( 0.1507038 -0.2528157 -0.4852293), wk = 0.0030211 k( 194) = ( 0.1565001 -0.2625393 -0.5038920), wk = 0.0030211 k( 195) = ( 0.1622964 -0.2722630 -0.5225546), wk = 0.0030211 k( 196) = ( 0.1680927 -0.2819867 -0.5412173), wk = 0.0030211 k( 197) = ( 0.1738890 -0.2917104 -0.5598800), wk = 0.0030211 k( 198) = ( 0.1796853 -0.3014341 -0.5785427), wk = 0.0030211 k( 199) = ( 0.1854816 -0.3111577 -0.5972053), wk = 0.0030211 k( 200) = ( 0.1912779 -0.3208814 -0.6158680), wk = 0.0030211 k( 201) = ( 0.1970742 -0.3306051 -0.6345307), wk = 0.0030211 k( 202) = ( 0.2028705 -0.3403288 -0.6531933), wk = 0.0030211 k( 203) = ( 0.2086668 -0.3500525 -0.6718560), wk = 0.0030211 k( 204) = ( 0.2144631 -0.3597762 -0.6905187), wk = 0.0030211 k( 205) = ( 0.2202594 -0.3694998 -0.7091813), wk = 0.0030211 k( 206) = ( 0.2260557 -0.3792235 -0.7278440), wk = 0.0030211 k( 207) = ( 0.2318520 -0.3889472 -0.7465066), wk = 0.0030211 k( 208) = ( 0.2376483 -0.3986709 -0.7651693), wk = 0.0030211 k( 209) = ( 0.2434446 -0.4083945 -0.7838320), wk = 0.0030211 k( 210) = ( 0.2492409 -0.4181182 -0.8024947), wk = 0.0030211 k( 211) = ( 0.2550372 -0.4278419 -0.8211573), wk = 0.0030211 k( 212) = ( 0.2608335 -0.4375656 -0.8398200), wk = 0.0030211 k( 213) = ( 0.2666298 -0.4472893 -0.8584827), wk = 0.0030211 k( 214) = ( 0.2724261 -0.4570130 -0.8771453), wk = 0.0030211 k( 215) = ( 0.2782224 -0.4667366 -0.8958080), wk = 0.0030211 k( 216) = ( 0.2840186 -0.4764603 -0.9144706), wk = 0.0030211 k( 217) = ( 0.2898150 -0.4861840 -0.9331333), wk = 0.0030211 k( 218) = ( 0.2956112 -0.4959077 -0.9517960), wk = 0.0030211 k( 219) = ( 0.3014076 -0.5056313 -0.9704586), wk = 0.0030211 k( 220) = ( 0.3072039 -0.5153550 -0.9891213), wk = 0.0030211 k( 221) = ( 0.3130001 -0.5250787 -1.0077840), wk = 0.0030211 k( 222) = ( 0.3187965 -0.5348024 -1.0264467), wk = 0.0030211 k( 223) = ( 0.3245927 -0.5445261 -1.0451093), wk = 0.0030211 k( 224) = ( 0.3303891 -0.5542497 -1.0637720), wk = 0.0030211 k( 225) = ( 0.3361853 -0.5639734 -1.0824347), wk = 0.0030211 k( 226) = ( 0.3419816 -0.5736971 -1.1010973), wk = 0.0030211 k( 227) = ( 0.6580184 -0.4359778 -1.0175610), wk = 0.0030211 k( 228) = ( 0.6523748 -0.4154886 -1.0175610), wk = 0.0030211 k( 229) = ( 0.6467313 -0.3949994 -1.0175610), wk = 0.0030211 k( 230) = ( 0.6410878 -0.3745102 -1.0175610), wk = 0.0030211 k( 231) = ( 0.6354443 -0.3540210 -1.0175610), wk = 0.0030211 k( 232) = ( 0.6298008 -0.3335319 -1.0175610), wk = 0.0030211 k( 233) = ( 0.6241573 -0.3130427 -1.0175610), wk = 0.0030211 k( 234) = ( 0.6185138 -0.2925535 -1.0175610), wk = 0.0030211 k( 235) = ( 0.6128702 -0.2720643 -1.0175610), wk = 0.0030211 k( 236) = ( 0.6072267 -0.2515751 -1.0175610), wk = 0.0030211 k( 237) = ( 0.6015832 -0.2310860 -1.0175610), wk = 0.0030211 k( 238) = ( 0.5959397 -0.2105968 -1.0175610), wk = 0.0030211 k( 239) = ( 0.5902962 -0.1901076 -1.0175610), wk = 0.0030211 k( 240) = ( 0.5846527 -0.1696184 -1.0175610), wk = 0.0030211 k( 241) = ( 0.5790092 -0.1491292 -1.0175610), wk = 0.0030211 k( 242) = ( 0.5733657 -0.1286401 -1.0175610), wk = 0.0030211 k( 243) = ( 0.5677222 -0.1081509 -1.0175610), wk = 0.0030211 k( 244) = ( 0.5620786 -0.0876617 -1.0175610), wk = 0.0030211 k( 245) = ( 0.5564351 -0.0671725 -1.0175610), wk = 0.0030211 k( 246) = ( 0.5507916 -0.0466833 -1.0175610), wk = 0.0030211 k( 247) = ( 0.5451481 -0.0261941 -1.0175610), wk = 0.0030211 k( 248) = ( 0.5395046 -0.0057050 -1.0175610), wk = 0.0030211 k( 249) = ( 0.5338611 0.0147842 -1.0175610), wk = 0.0030211 k( 250) = ( 0.5282176 0.0352734 -1.0175610), wk = 0.0030211 k( 251) = ( 0.5225741 0.0557626 -1.0175610), wk = 0.0030211 k( 252) = ( 0.5169305 0.0762518 -1.0175610), wk = 0.0030211 k( 253) = ( 0.5112870 0.0967409 -1.0175610), wk = 0.0030211 k( 254) = ( 0.5056435 0.1172302 -1.0175610), wk = 0.0030211 k( 255) = ( 0.5000000 0.1377193 -1.0175610), wk = 0.0030211 k( 256) = ( 0.5000000 0.1377193 -1.0175610), wk = 0.0030211 k( 257) = ( 0.5175576 0.1425554 -1.0082792), wk = 0.0030211 k( 258) = ( 0.5351152 0.1473914 -0.9989973), wk = 0.0030211 k( 259) = ( 0.5526728 0.1522274 -0.9897155), wk = 0.0030211 k( 260) = ( 0.5702304 0.1570635 -0.9804337), wk = 0.0030211 k( 261) = ( 0.5877880 0.1618995 -0.9711519), wk = 0.0030211 k( 262) = ( 0.6053456 0.1667356 -0.9618701), wk = 0.0030211 k( 263) = ( 0.6229032 0.1715716 -0.9525883), wk = 0.0030211 k( 264) = ( 0.6404608 0.1764076 -0.9433064), wk = 0.0030211 k( 265) = ( 0.6580184 0.1812437 -0.9340246), wk = 0.0030211 k( 266) = ( 0.6580184 0.1812437 -0.9340246), wk = 0.0030211 k( 267) = ( 0.6546563 0.1803176 -0.9123744), wk = 0.0030211 k( 268) = ( 0.6512942 0.1793916 -0.8907242), wk = 0.0030211 k( 269) = ( 0.6479321 0.1784655 -0.8690739), wk = 0.0030211 k( 270) = ( 0.6445700 0.1775395 -0.8474237), wk = 0.0030211 k( 271) = ( 0.6412079 0.1766134 -0.8257734), wk = 0.0030211 k( 272) = ( 0.6378458 0.1756874 -0.8041232), wk = 0.0030211 k( 273) = ( 0.6344837 0.1747613 -0.7824730), wk = 0.0030211 k( 274) = ( 0.6311216 0.1738353 -0.7608228), wk = 0.0030211 k( 275) = ( 0.6277595 0.1729092 -0.7391725), wk = 0.0030211 k( 276) = ( 0.6243974 0.1719832 -0.7175223), wk = 0.0030211 k( 277) = ( 0.6210353 0.1710571 -0.6958721), wk = 0.0030211 k( 278) = ( 0.6176732 0.1701311 -0.6742218), wk = 0.0030211 k( 279) = ( 0.6143112 0.1692050 -0.6525716), wk = 0.0030211 k( 280) = ( 0.6109491 0.1682790 -0.6309214), wk = 0.0030211 k( 281) = ( 0.6075870 0.1673529 -0.6092711), wk = 0.0030211 k( 282) = ( 0.6042249 0.1664269 -0.5876209), wk = 0.0030211 k( 283) = ( 0.6008628 0.1655008 -0.5659707), wk = 0.0030211 k( 284) = ( 0.5975007 0.1645748 -0.5443204), wk = 0.0030211 k( 285) = ( 0.5941386 0.1636487 -0.5226702), wk = 0.0030211 k( 286) = ( 0.5907765 0.1627227 -0.5010199), wk = 0.0030211 k( 287) = ( 0.5874144 0.1617966 -0.4793697), wk = 0.0030211 k( 288) = ( 0.5840523 0.1608706 -0.4577195), wk = 0.0030211 k( 289) = ( 0.5806902 0.1599445 -0.4360693), wk = 0.0030211 k( 290) = ( 0.5773281 0.1590185 -0.4144190), wk = 0.0030211 k( 291) = ( 0.5739660 0.1580924 -0.3927688), wk = 0.0030211 k( 292) = ( 0.5706039 0.1571664 -0.3711186), wk = 0.0030211 k( 293) = ( 0.5672419 0.1562403 -0.3494683), wk = 0.0030211 k( 294) = ( 0.5638798 0.1553143 -0.3278181), wk = 0.0030211 k( 295) = ( 0.5605177 0.1543882 -0.3061679), wk = 0.0030211 k( 296) = ( 0.5571556 0.1534622 -0.2845176), wk = 0.0030211 k( 297) = ( 0.5537935 0.1525361 -0.2628674), wk = 0.0030211 k( 298) = ( 0.5504314 0.1516101 -0.2412172), wk = 0.0030211 k( 299) = ( 0.5470693 0.1506840 -0.2195669), wk = 0.0030211 k( 300) = ( 0.5437072 0.1497580 -0.1979167), wk = 0.0030211 k( 301) = ( 0.5403451 0.1488319 -0.1762664), wk = 0.0030211 k( 302) = ( 0.5369830 0.1479059 -0.1546162), wk = 0.0030211 k( 303) = ( 0.5336209 0.1469798 -0.1329660), wk = 0.0030211 k( 304) = ( 0.5302588 0.1460538 -0.1113158), wk = 0.0030211 k( 305) = ( 0.5268967 0.1451277 -0.0896655), wk = 0.0030211 k( 306) = ( 0.5235346 0.1442017 -0.0680153), wk = 0.0030211 k( 307) = ( 0.5201726 0.1432756 -0.0463651), wk = 0.0030211 k( 308) = ( 0.5168105 0.1423496 -0.0247148), wk = 0.0030211 k( 309) = ( 0.5134484 0.1414235 -0.0030646), wk = 0.0030211 k( 310) = ( 0.5100863 0.1404975 0.0185856), wk = 0.0030211 k( 311) = ( 0.5067242 0.1395714 0.0402359), wk = 0.0030211 k( 312) = ( 0.5033621 0.1386454 0.0618861), wk = 0.0030211 k( 313) = ( 0.5000000 0.1377193 0.0835363), wk = 0.0030211 k( 314) = ( 0.5000000 -0.8387835 -0.5087805), wk = 0.0030211 k( 315) = ( 0.5185904 -0.8306823 -0.5038666), wk = 0.0030211 k( 316) = ( 0.5371808 -0.8225812 -0.4989527), wk = 0.0030211 k( 317) = ( 0.5557712 -0.8144801 -0.4940388), wk = 0.0030211 k( 318) = ( 0.5743616 -0.8063789 -0.4891249), wk = 0.0030211 k( 319) = ( 0.5929520 -0.7982778 -0.4842110), wk = 0.0030211 k( 320) = ( 0.6115424 -0.7901767 -0.4792971), wk = 0.0030211 k( 321) = ( 0.6301328 -0.7820755 -0.4743832), wk = 0.0030211 k( 322) = ( 0.6487232 -0.7739744 -0.4694693), wk = 0.0030211 k( 323) = ( 0.6673136 -0.7658732 -0.4645554), wk = 0.0030211 k( 324) = ( 0.6859040 -0.7577721 -0.4596415), wk = 0.0030211 k( 325) = ( 0.7044943 -0.7496710 -0.4547276), wk = 0.0030211 k( 326) = ( 0.7230847 -0.7415698 -0.4498137), wk = 0.0030211 k( 327) = ( 0.7416751 -0.7334687 -0.4448997), wk = 0.0030211 k( 328) = ( 0.7602655 -0.7253676 -0.4399859), wk = 0.0030211 k( 329) = ( 0.7788559 -0.7172664 -0.4350719), wk = 0.0030211 k( 330) = ( 0.7974463 -0.7091653 -0.4301580), wk = 0.0030211 k( 331) = ( 0.8160367 -0.7010642 -0.4252441), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0030211 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0030211 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0030211 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0030211 k( 6) = ( 0.0490196 0.0000000 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0030211 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0030211 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0030211 k( 10) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0030211 k( 11) = ( 0.0980392 0.0000000 -0.0000000), wk = 0.0030211 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0030211 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0030211 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0030211 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0030211 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030211 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0030211 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0030211 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0030211 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0030211 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0030211 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0030211 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0030211 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0030211 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0030211 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0030211 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0030211 k( 32) = ( 0.3039216 -0.0000000 0.0000000), wk = 0.0030211 k( 33) = ( 0.3137255 0.0000000 -0.0000000), wk = 0.0030211 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0030211 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030211 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0030211 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0030211 k( 38) = ( 0.3627451 0.0000000 -0.0000000), wk = 0.0030211 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0030211 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0030211 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0030211 k( 42) = ( 0.4019608 0.0000000 -0.0000000), wk = 0.0030211 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0030211 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0030211 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0030211 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0030211 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0030211 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0030211 k( 50) = ( 0.4803922 0.0000000 -0.0000000), wk = 0.0030211 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 54) = ( 0.5000000 0.0057489 -0.0057488), wk = 0.0030211 k( 55) = ( 0.5000000 0.0114977 -0.0114977), wk = 0.0030211 k( 56) = ( 0.5000000 0.0172466 -0.0172466), wk = 0.0030211 k( 57) = ( 0.5000000 0.0229954 -0.0229954), wk = 0.0030211 k( 58) = ( 0.5000000 0.0287443 -0.0287443), wk = 0.0030211 k( 59) = ( 0.5000000 0.0344931 -0.0344931), wk = 0.0030211 k( 60) = ( 0.5000000 0.0402420 -0.0402420), wk = 0.0030211 k( 61) = ( 0.5000000 0.0459908 -0.0459908), wk = 0.0030211 k( 62) = ( 0.5000000 0.0517397 -0.0517397), wk = 0.0030211 k( 63) = ( 0.5000000 0.0574885 -0.0574885), wk = 0.0030211 k( 64) = ( 0.5000000 0.0632374 -0.0632374), wk = 0.0030211 k( 65) = ( 0.5000000 0.0689862 -0.0689862), wk = 0.0030211 k( 66) = ( 0.5000000 0.0747351 -0.0747351), wk = 0.0030211 k( 67) = ( 0.5000000 0.0804839 -0.0804839), wk = 0.0030211 k( 68) = ( 0.5000000 0.0862328 -0.0862328), wk = 0.0030211 k( 69) = ( 0.5000000 0.0919816 -0.0919816), wk = 0.0030211 k( 70) = ( 0.5000000 0.0977305 -0.0977305), wk = 0.0030211 k( 71) = ( 0.5000000 0.1034794 -0.1034794), wk = 0.0030211 k( 72) = ( 0.5000000 0.1092282 -0.1092282), wk = 0.0030211 k( 73) = ( 0.5000000 0.1149771 -0.1149771), wk = 0.0030211 k( 74) = ( 0.5000000 0.1207259 -0.1207259), wk = 0.0030211 k( 75) = ( 0.5000000 0.1264748 -0.1264748), wk = 0.0030211 k( 76) = ( 0.5000000 0.1322236 -0.1322236), wk = 0.0030211 k( 77) = ( 0.5000000 0.1379725 -0.1379725), wk = 0.0030211 k( 78) = ( 0.5000000 0.1437213 -0.1437213), wk = 0.0030211 k( 79) = ( 0.5000000 0.1494702 -0.1494702), wk = 0.0030211 k( 80) = ( 0.5000000 0.1552190 -0.1552190), wk = 0.0030211 k( 81) = ( 0.5000000 0.1609679 -0.1609679), wk = 0.0030211 k( 82) = ( 0.5000000 0.1667167 -0.1667167), wk = 0.0030211 k( 83) = ( 0.5000000 0.1724656 -0.1724656), wk = 0.0030211 k( 84) = ( 0.5000000 0.1782144 -0.1782144), wk = 0.0030211 k( 85) = ( 0.5000000 0.1839633 -0.1839633), wk = 0.0030211 k( 86) = ( 0.8160367 0.5000000 0.1839633), wk = 0.0030211 k( 87) = ( 0.8102906 0.5000000 0.1897094), wk = 0.0030211 k( 88) = ( 0.8045445 0.5000000 0.1954555), wk = 0.0030211 k( 89) = ( 0.7987983 0.5000000 0.2012017), wk = 0.0030211 k( 90) = ( 0.7930522 0.5000000 0.2069478), wk = 0.0030211 k( 91) = ( 0.7873061 0.5000000 0.2126939), wk = 0.0030211 k( 92) = ( 0.7815600 0.5000000 0.2184400), wk = 0.0030211 k( 93) = ( 0.7758139 0.5000000 0.2241861), wk = 0.0030211 k( 94) = ( 0.7700677 0.5000000 0.2299323), wk = 0.0030211 k( 95) = ( 0.7643216 0.5000000 0.2356784), wk = 0.0030211 k( 96) = ( 0.7585755 0.5000000 0.2414245), wk = 0.0030211 k( 97) = ( 0.7528294 0.5000000 0.2471706), wk = 0.0030211 k( 98) = ( 0.7470832 0.5000000 0.2529168), wk = 0.0030211 k( 99) = ( 0.7413371 0.5000000 0.2586629), wk = 0.0030211 k( 100) = ( 0.7355910 0.5000000 0.2644090), wk = 0.0030211 k( 101) = ( 0.7298449 0.5000000 0.2701551), wk = 0.0030211 k( 102) = ( 0.7240988 0.5000000 0.2759012), wk = 0.0030211 k( 103) = ( 0.7183526 0.5000000 0.2816474), wk = 0.0030211 k( 104) = ( 0.7126065 0.5000000 0.2873935), wk = 0.0030211 k( 105) = ( 0.7068604 0.5000000 0.2931396), wk = 0.0030211 k( 106) = ( 0.7011143 0.5000000 0.2988857), wk = 0.0030211 k( 107) = ( 0.6953681 0.5000000 0.3046318), wk = 0.0030211 k( 108) = ( 0.6896220 0.5000000 0.3103780), wk = 0.0030211 k( 109) = ( 0.6838759 0.5000000 0.3161241), wk = 0.0030211 k( 110) = ( 0.6781298 0.5000000 0.3218702), wk = 0.0030211 k( 111) = ( 0.6723837 0.5000000 0.3276163), wk = 0.0030211 k( 112) = ( 0.6666375 0.5000000 0.3333625), wk = 0.0030211 k( 113) = ( 0.6608914 0.5000000 0.3391086), wk = 0.0030211 k( 114) = ( 0.6551453 0.5000000 0.3448547), wk = 0.0030211 k( 115) = ( 0.6493992 0.5000000 0.3506008), wk = 0.0030211 k( 116) = ( 0.6436530 0.5000000 0.3563469), wk = 0.0030211 k( 117) = ( 0.6379069 0.5000000 0.3620931), wk = 0.0030211 k( 118) = ( 0.6321608 0.5000000 0.3678392), wk = 0.0030211 k( 119) = ( 0.6264147 0.5000000 0.3735853), wk = 0.0030211 k( 120) = ( 0.6206686 0.5000000 0.3793314), wk = 0.0030211 k( 121) = ( 0.6149224 0.5000000 0.3850776), wk = 0.0030211 k( 122) = ( 0.6091763 0.5000000 0.3908237), wk = 0.0030211 k( 123) = ( 0.6034302 0.5000000 0.3965698), wk = 0.0030211 k( 124) = ( 0.5976841 0.5000000 0.4023159), wk = 0.0030211 k( 125) = ( 0.5919380 0.5000000 0.4080620), wk = 0.0030211 k( 126) = ( 0.5861918 0.5000000 0.4138082), wk = 0.0030211 k( 127) = ( 0.5804457 0.5000000 0.4195543), wk = 0.0030211 k( 128) = ( 0.5746996 0.5000000 0.4253004), wk = 0.0030211 k( 129) = ( 0.5689535 0.5000000 0.4310465), wk = 0.0030211 k( 130) = ( 0.5632073 0.5000000 0.4367927), wk = 0.0030211 k( 131) = ( 0.5574612 0.5000000 0.4425388), wk = 0.0030211 k( 132) = ( 0.5517151 0.5000000 0.4482849), wk = 0.0030211 k( 133) = ( 0.5459690 0.5000000 0.4540310), wk = 0.0030211 k( 134) = ( 0.5402229 0.5000000 0.4597771), wk = 0.0030211 k( 135) = ( 0.5344767 0.5000000 0.4655233), wk = 0.0030211 k( 136) = ( 0.5287306 0.5000000 0.4712694), wk = 0.0030211 k( 137) = ( 0.5229845 0.5000000 0.4770155), wk = 0.0030211 k( 138) = ( 0.5172384 0.5000000 0.4827616), wk = 0.0030211 k( 139) = ( 0.5114922 0.5000000 0.4885078), wk = 0.0030211 k( 140) = ( 0.5057461 0.5000000 0.4942539), wk = 0.0030211 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 143) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0030211 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0030211 k( 145) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0030211 k( 146) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030211 k( 147) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0030211 k( 148) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030211 k( 149) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0030211 k( 150) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030211 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0030211 k( 152) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0030211 k( 153) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0030211 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 155) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0030211 k( 156) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0030211 k( 157) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0030211 k( 158) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030211 k( 159) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0030211 k( 160) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030211 k( 161) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0030211 k( 162) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030211 k( 163) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0030211 k( 164) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0030211 k( 165) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0030211 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 168) = ( 0.0057963 0.0000000 -0.0057963), wk = 0.0030211 k( 169) = ( 0.0115926 0.0000000 -0.0115926), wk = 0.0030211 k( 170) = ( 0.0173889 0.0000000 -0.0173889), wk = 0.0030211 k( 171) = ( 0.0231852 0.0000000 -0.0231852), wk = 0.0030211 k( 172) = ( 0.0289815 0.0000000 -0.0289815), wk = 0.0030211 k( 173) = ( 0.0347778 0.0000000 -0.0347778), wk = 0.0030211 k( 174) = ( 0.0405741 0.0000000 -0.0405741), wk = 0.0030211 k( 175) = ( 0.0463704 0.0000000 -0.0463704), wk = 0.0030211 k( 176) = ( 0.0521667 0.0000000 -0.0521667), wk = 0.0030211 k( 177) = ( 0.0579630 0.0000000 -0.0579630), wk = 0.0030211 k( 178) = ( 0.0637593 0.0000000 -0.0637593), wk = 0.0030211 k( 179) = ( 0.0695556 0.0000000 -0.0695556), wk = 0.0030211 k( 180) = ( 0.0753519 0.0000000 -0.0753519), wk = 0.0030211 k( 181) = ( 0.0811482 0.0000000 -0.0811482), wk = 0.0030211 k( 182) = ( 0.0869445 0.0000000 -0.0869445), wk = 0.0030211 k( 183) = ( 0.0927408 0.0000000 -0.0927408), wk = 0.0030211 k( 184) = ( 0.0985371 0.0000000 -0.0985371), wk = 0.0030211 k( 185) = ( 0.1043334 0.0000000 -0.1043334), wk = 0.0030211 k( 186) = ( 0.1101297 0.0000000 -0.1101297), wk = 0.0030211 k( 187) = ( 0.1159260 0.0000000 -0.1159260), wk = 0.0030211 k( 188) = ( 0.1217223 0.0000000 -0.1217223), wk = 0.0030211 k( 189) = ( 0.1275186 0.0000000 -0.1275186), wk = 0.0030211 k( 190) = ( 0.1333149 0.0000000 -0.1333149), wk = 0.0030211 k( 191) = ( 0.1391112 0.0000000 -0.1391112), wk = 0.0030211 k( 192) = ( 0.1449075 0.0000000 -0.1449075), wk = 0.0030211 k( 193) = ( 0.1507038 0.0000000 -0.1507038), wk = 0.0030211 k( 194) = ( 0.1565001 0.0000000 -0.1565001), wk = 0.0030211 k( 195) = ( 0.1622964 0.0000000 -0.1622964), wk = 0.0030211 k( 196) = ( 0.1680927 0.0000000 -0.1680927), wk = 0.0030211 k( 197) = ( 0.1738890 0.0000000 -0.1738890), wk = 0.0030211 k( 198) = ( 0.1796853 -0.0000000 -0.1796853), wk = 0.0030211 k( 199) = ( 0.1854816 0.0000000 -0.1854816), wk = 0.0030211 k( 200) = ( 0.1912779 0.0000000 -0.1912779), wk = 0.0030211 k( 201) = ( 0.1970742 0.0000000 -0.1970742), wk = 0.0030211 k( 202) = ( 0.2028705 0.0000000 -0.2028705), wk = 0.0030211 k( 203) = ( 0.2086668 0.0000000 -0.2086668), wk = 0.0030211 k( 204) = ( 0.2144631 -0.0000000 -0.2144631), wk = 0.0030211 k( 205) = ( 0.2202594 0.0000000 -0.2202594), wk = 0.0030211 k( 206) = ( 0.2260557 0.0000000 -0.2260557), wk = 0.0030211 k( 207) = ( 0.2318520 0.0000000 -0.2318520), wk = 0.0030211 k( 208) = ( 0.2376483 0.0000000 -0.2376483), wk = 0.0030211 k( 209) = ( 0.2434446 0.0000000 -0.2434446), wk = 0.0030211 k( 210) = ( 0.2492409 0.0000000 -0.2492409), wk = 0.0030211 k( 211) = ( 0.2550372 0.0000000 -0.2550372), wk = 0.0030211 k( 212) = ( 0.2608335 0.0000000 -0.2608335), wk = 0.0030211 k( 213) = ( 0.2666298 0.0000000 -0.2666298), wk = 0.0030211 k( 214) = ( 0.2724261 0.0000000 -0.2724261), wk = 0.0030211 k( 215) = ( 0.2782224 0.0000000 -0.2782223), wk = 0.0030211 k( 216) = ( 0.2840186 0.0000000 -0.2840186), wk = 0.0030211 k( 217) = ( 0.2898150 0.0000000 -0.2898149), wk = 0.0030211 k( 218) = ( 0.2956112 0.0000000 -0.2956112), wk = 0.0030211 k( 219) = ( 0.3014076 0.0000000 -0.3014075), wk = 0.0030211 k( 220) = ( 0.3072039 0.0000000 -0.3072039), wk = 0.0030211 k( 221) = ( 0.3130001 0.0000000 -0.3130001), wk = 0.0030211 k( 222) = ( 0.3187965 0.0000000 -0.3187964), wk = 0.0030211 k( 223) = ( 0.3245927 0.0000000 -0.3245927), wk = 0.0030211 k( 224) = ( 0.3303891 -0.0000000 -0.3303891), wk = 0.0030211 k( 225) = ( 0.3361853 -0.0000000 -0.3361853), wk = 0.0030211 k( 226) = ( 0.3419816 0.0000000 -0.3419816), wk = 0.0030211 k( 227) = ( 0.6580184 0.3419816 0.0000000), wk = 0.0030211 k( 228) = ( 0.6523748 0.3476252 -0.0000000), wk = 0.0030211 k( 229) = ( 0.6467313 0.3532687 -0.0000000), wk = 0.0030211 k( 230) = ( 0.6410878 0.3589122 0.0000000), wk = 0.0030211 k( 231) = ( 0.6354443 0.3645557 0.0000000), wk = 0.0030211 k( 232) = ( 0.6298008 0.3701992 0.0000000), wk = 0.0030211 k( 233) = ( 0.6241573 0.3758427 0.0000000), wk = 0.0030211 k( 234) = ( 0.6185138 0.3814862 0.0000000), wk = 0.0030211 k( 235) = ( 0.6128702 0.3871298 0.0000000), wk = 0.0030211 k( 236) = ( 0.6072267 0.3927733 0.0000000), wk = 0.0030211 k( 237) = ( 0.6015832 0.3984168 0.0000000), wk = 0.0030211 k( 238) = ( 0.5959397 0.4040603 0.0000000), wk = 0.0030211 k( 239) = ( 0.5902962 0.4097038 0.0000000), wk = 0.0030211 k( 240) = ( 0.5846527 0.4153473 0.0000000), wk = 0.0030211 k( 241) = ( 0.5790092 0.4209908 0.0000000), wk = 0.0030211 k( 242) = ( 0.5733657 0.4266343 0.0000000), wk = 0.0030211 k( 243) = ( 0.5677222 0.4322779 0.0000000), wk = 0.0030211 k( 244) = ( 0.5620786 0.4379214 0.0000000), wk = 0.0030211 k( 245) = ( 0.5564351 0.4435649 0.0000000), wk = 0.0030211 k( 246) = ( 0.5507916 0.4492084 0.0000000), wk = 0.0030211 k( 247) = ( 0.5451481 0.4548519 0.0000000), wk = 0.0030211 k( 248) = ( 0.5395046 0.4604954 0.0000000), wk = 0.0030211 k( 249) = ( 0.5338611 0.4661389 0.0000000), wk = 0.0030211 k( 250) = ( 0.5282176 0.4717824 0.0000000), wk = 0.0030211 k( 251) = ( 0.5225741 0.4774260 0.0000000), wk = 0.0030211 k( 252) = ( 0.5169305 0.4830695 0.0000000), wk = 0.0030211 k( 253) = ( 0.5112870 0.4887130 0.0000000), wk = 0.0030211 k( 254) = ( 0.5056435 0.4943565 0.0000000), wk = 0.0030211 k( 255) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 257) = ( 0.5175576 0.5175576 0.0204404), wk = 0.0030211 k( 258) = ( 0.5351152 0.5351152 0.0408807), wk = 0.0030211 k( 259) = ( 0.5526728 0.5526728 0.0613211), wk = 0.0030211 k( 260) = ( 0.5702304 0.5702304 0.0817615), wk = 0.0030211 k( 261) = ( 0.5877880 0.5877880 0.1022018), wk = 0.0030211 k( 262) = ( 0.6053456 0.6053456 0.1226422), wk = 0.0030211 k( 263) = ( 0.6229032 0.6229032 0.1430826), wk = 0.0030211 k( 264) = ( 0.6404608 0.6404608 0.1635229), wk = 0.0030211 k( 265) = ( 0.6580184 0.6580184 0.1839633), wk = 0.0030211 k( 266) = ( 0.6580184 0.6580184 0.1839633), wk = 0.0030211 k( 267) = ( 0.6546563 0.6546563 0.1906875), wk = 0.0030211 k( 268) = ( 0.6512942 0.6512942 0.1974117), wk = 0.0030211 k( 269) = ( 0.6479321 0.6479321 0.2041358), wk = 0.0030211 k( 270) = ( 0.6445700 0.6445700 0.2108600), wk = 0.0030211 k( 271) = ( 0.6412079 0.6412079 0.2175842), wk = 0.0030211 k( 272) = ( 0.6378458 0.6378458 0.2243084), wk = 0.0030211 k( 273) = ( 0.6344837 0.6344837 0.2310326), wk = 0.0030211 k( 274) = ( 0.6311216 0.6311216 0.2377568), wk = 0.0030211 k( 275) = ( 0.6277595 0.6277595 0.2444810), wk = 0.0030211 k( 276) = ( 0.6243974 0.6243974 0.2512051), wk = 0.0030211 k( 277) = ( 0.6210353 0.6210353 0.2579293), wk = 0.0030211 k( 278) = ( 0.6176732 0.6176732 0.2646535), wk = 0.0030211 k( 279) = ( 0.6143112 0.6143112 0.2713777), wk = 0.0030211 k( 280) = ( 0.6109491 0.6109491 0.2781019), wk = 0.0030211 k( 281) = ( 0.6075870 0.6075870 0.2848261), wk = 0.0030211 k( 282) = ( 0.6042249 0.6042249 0.2915502), wk = 0.0030211 k( 283) = ( 0.6008628 0.6008628 0.2982744), wk = 0.0030211 k( 284) = ( 0.5975007 0.5975007 0.3049986), wk = 0.0030211 k( 285) = ( 0.5941386 0.5941386 0.3117228), wk = 0.0030211 k( 286) = ( 0.5907765 0.5907765 0.3184470), wk = 0.0030211 k( 287) = ( 0.5874144 0.5874144 0.3251712), wk = 0.0030211 k( 288) = ( 0.5840523 0.5840523 0.3318954), wk = 0.0030211 k( 289) = ( 0.5806902 0.5806902 0.3386195), wk = 0.0030211 k( 290) = ( 0.5773281 0.5773281 0.3453437), wk = 0.0030211 k( 291) = ( 0.5739660 0.5739660 0.3520679), wk = 0.0030211 k( 292) = ( 0.5706039 0.5706040 0.3587921), wk = 0.0030211 k( 293) = ( 0.5672419 0.5672419 0.3655163), wk = 0.0030211 k( 294) = ( 0.5638798 0.5638798 0.3722405), wk = 0.0030211 k( 295) = ( 0.5605177 0.5605177 0.3789647), wk = 0.0030211 k( 296) = ( 0.5571556 0.5571556 0.3856888), wk = 0.0030211 k( 297) = ( 0.5537935 0.5537935 0.3924130), wk = 0.0030211 k( 298) = ( 0.5504314 0.5504314 0.3991372), wk = 0.0030211 k( 299) = ( 0.5470693 0.5470693 0.4058614), wk = 0.0030211 k( 300) = ( 0.5437072 0.5437072 0.4125856), wk = 0.0030211 k( 301) = ( 0.5403451 0.5403451 0.4193098), wk = 0.0030211 k( 302) = ( 0.5369830 0.5369830 0.4260340), wk = 0.0030211 k( 303) = ( 0.5336209 0.5336209 0.4327581), wk = 0.0030211 k( 304) = ( 0.5302588 0.5302588 0.4394823), wk = 0.0030211 k( 305) = ( 0.5268967 0.5268967 0.4462065), wk = 0.0030211 k( 306) = ( 0.5235346 0.5235346 0.4529307), wk = 0.0030211 k( 307) = ( 0.5201726 0.5201726 0.4596549), wk = 0.0030211 k( 308) = ( 0.5168105 0.5168105 0.4663791), wk = 0.0030211 k( 309) = ( 0.5134484 0.5134484 0.4731033), wk = 0.0030211 k( 310) = ( 0.5100863 0.5100863 0.4798274), wk = 0.0030211 k( 311) = ( 0.5067242 0.5067242 0.4865516), wk = 0.0030211 k( 312) = ( 0.5033621 0.5033621 0.4932758), wk = 0.0030211 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 315) = ( 0.5185904 0.0201166 0.0201166), wk = 0.0030211 k( 316) = ( 0.5371808 0.0402331 0.0402331), wk = 0.0030211 k( 317) = ( 0.5557712 0.0603497 0.0603497), wk = 0.0030211 k( 318) = ( 0.5743616 0.0804663 0.0804663), wk = 0.0030211 k( 319) = ( 0.5929520 0.1005828 0.1005828), wk = 0.0030211 k( 320) = ( 0.6115424 0.1206994 0.1206994), wk = 0.0030211 k( 321) = ( 0.6301328 0.1408160 0.1408160), wk = 0.0030211 k( 322) = ( 0.6487232 0.1609325 0.1609325), wk = 0.0030211 k( 323) = ( 0.6673136 0.1810491 0.1810491), wk = 0.0030211 k( 324) = ( 0.6859040 0.2011657 0.2011657), wk = 0.0030211 k( 325) = ( 0.7044943 0.2212822 0.2212822), wk = 0.0030211 k( 326) = ( 0.7230847 0.2413988 0.2413988), wk = 0.0030211 k( 327) = ( 0.7416751 0.2615154 0.2615154), wk = 0.0030211 k( 328) = ( 0.7602655 0.2816319 0.2816319), wk = 0.0030211 k( 329) = ( 0.7788559 0.3017485 0.3017485), wk = 0.0030211 k( 330) = ( 0.7974463 0.3218651 0.3218651), wk = 0.0030211 k( 331) = ( 0.8160367 0.3419816 0.3419816), wk = 0.0030211 Dense grid: 50123 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 21641 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 154, 40) NL pseudopotentials 0.14 Mb ( 77, 116) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1392) G-vector shells 0.01 Mb ( 1178) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 154, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ca2NCl.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.9 secs Computing kpt #: 14 total cpu time spent up to now is 14.8 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.7 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.8 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.3 secs Computing kpt #: 21 total cpu time spent up to now is 22.7 secs Computing kpt #: 22 total cpu time spent up to now is 23.7 secs Computing kpt #: 23 total cpu time spent up to now is 24.6 secs Computing kpt #: 24 total cpu time spent up to now is 25.3 secs Computing kpt #: 25 total cpu time spent up to now is 26.2 secs Computing kpt #: 26 total cpu time spent up to now is 26.9 secs Computing kpt #: 27 total cpu time spent up to now is 27.7 secs Computing kpt #: 28 total cpu time spent up to now is 28.4 secs Computing kpt #: 29 total cpu time spent up to now is 29.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.9 secs Computing kpt #: 31 total cpu time spent up to now is 30.7 secs Computing kpt #: 32 total cpu time spent up to now is 31.4 secs Computing kpt #: 33 total cpu time spent up to now is 32.1 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.6 secs Computing kpt #: 36 total cpu time spent up to now is 34.3 secs Computing kpt #: 37 total cpu time spent up to now is 35.0 secs Computing kpt #: 38 total cpu time spent up to now is 35.7 secs Computing kpt #: 39 total cpu time spent up to now is 36.4 secs Computing kpt #: 40 total cpu time spent up to now is 37.1 secs Computing kpt #: 41 total cpu time spent up to now is 37.8 secs Computing kpt #: 42 total cpu time spent up to now is 38.4 secs Computing kpt #: 43 total cpu time spent up to now is 39.1 secs Computing kpt #: 44 total cpu time spent up to now is 39.8 secs Computing kpt #: 45 total cpu time spent up to now is 40.4 secs Computing kpt #: 46 total cpu time spent up to now is 41.1 secs Computing kpt #: 47 total cpu time spent up to now is 41.8 secs Computing kpt #: 48 total cpu time spent up to now is 42.5 secs Computing kpt #: 49 total cpu time spent up to now is 43.1 secs Computing kpt #: 50 total cpu time spent up to now is 43.8 secs Computing kpt #: 51 total cpu time spent up to now is 44.5 secs Computing kpt #: 52 total cpu time spent up to now is 45.2 secs Computing kpt #: 53 total cpu time spent up to now is 45.9 secs Computing kpt #: 54 total cpu time spent up to now is 46.6 secs Computing kpt #: 55 total cpu time spent up to now is 47.3 secs Computing kpt #: 56 total cpu time spent up to now is 48.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.7 secs Computing kpt #: 58 total cpu time spent up to now is 49.5 secs Computing kpt #: 59 total cpu time spent up to now is 50.3 secs Computing kpt #: 60 total cpu time spent up to now is 51.1 secs Computing kpt #: 61 total cpu time spent up to now is 52.0 secs Computing kpt #: 62 total cpu time spent up to now is 52.8 secs Computing kpt #: 63 total cpu time spent up to now is 53.7 secs Computing kpt #: 64 total cpu time spent up to now is 54.6 secs Computing kpt #: 65 total cpu time spent up to now is 55.5 secs Computing kpt #: 66 total cpu time spent up to now is 56.3 secs Computing kpt #: 67 total cpu time spent up to now is 57.0 secs Computing kpt #: 68 total cpu time spent up to now is 57.8 secs Computing kpt #: 69 total cpu time spent up to now is 58.6 secs Computing kpt #: 70 total cpu time spent up to now is 59.2 secs Computing kpt #: 71 total cpu time spent up to now is 59.9 secs Computing kpt #: 72 total cpu time spent up to now is 60.6 secs Computing kpt #: 73 total cpu time spent up to now is 61.2 secs Computing kpt #: 74 total cpu time spent up to now is 61.8 secs Computing kpt #: 75 total cpu time spent up to now is 62.5 secs Computing kpt #: 76 total cpu time spent up to now is 63.2 secs Computing kpt #: 77 total cpu time spent up to now is 63.8 secs Computing kpt #: 78 total cpu time spent up to now is 64.5 secs Computing kpt #: 79 total cpu time spent up to now is 65.2 secs Computing kpt #: 80 total cpu time spent up to now is 66.0 secs Computing kpt #: 81 total cpu time spent up to now is 66.8 secs Computing kpt #: 82 total cpu time spent up to now is 67.6 secs Computing kpt #: 83 total cpu time spent up to now is 68.4 secs Computing kpt #: 84 total cpu time spent up to now is 69.1 secs Computing kpt #: 85 total cpu time spent up to now is 69.9 secs Computing kpt #: 86 total cpu time spent up to now is 70.7 secs Computing kpt #: 87 total cpu time spent up to now is 71.5 secs Computing kpt #: 88 total cpu time spent up to now is 72.2 secs Computing kpt #: 89 total cpu time spent up to now is 73.0 secs Computing kpt #: 90 total cpu time spent up to now is 73.7 secs Computing kpt #: 91 total cpu time spent up to now is 74.4 secs Computing kpt #: 92 total cpu time spent up to now is 75.2 secs Computing kpt #: 93 total cpu time spent up to now is 75.9 secs Computing kpt #: 94 total cpu time spent up to now is 76.6 secs Computing kpt #: 95 total cpu time spent up to now is 77.4 secs Computing kpt #: 96 total cpu time spent up to now is 78.2 secs Computing kpt #: 97 total cpu time spent up to now is 79.0 secs Computing kpt #: 98 total cpu time spent up to now is 79.8 secs Computing kpt #: 99 total cpu time spent up to now is 80.7 secs Computing kpt #: 100 total cpu time spent up to now is 81.5 secs Computing kpt #: 101 total cpu time spent up to now is 82.2 secs Computing kpt #: 102 total cpu time spent up to now is 83.0 secs Computing kpt #: 103 total cpu time spent up to now is 83.8 secs Computing kpt #: 104 total cpu time spent up to now is 84.5 secs Computing kpt #: 105 total cpu time spent up to now is 85.2 secs Computing kpt #: 106 total cpu time spent up to now is 86.0 secs Computing kpt #: 107 total cpu time spent up to now is 86.8 secs Computing kpt #: 108 total cpu time spent up to now is 87.5 secs Computing kpt #: 109 total cpu time spent up to now is 88.2 secs Computing kpt #: 110 total cpu time spent up to now is 89.0 secs Computing kpt #: 111 total cpu time spent up to now is 89.7 secs Computing kpt #: 112 total cpu time spent up to now is 90.4 secs Computing kpt #: 113 total cpu time spent up to now is 91.2 secs Computing kpt #: 114 total cpu time spent up to now is 91.9 secs Computing kpt #: 115 total cpu time spent up to now is 92.7 secs Computing kpt #: 116 total cpu time spent up to now is 93.4 secs Computing kpt #: 117 total cpu time spent up to now is 94.2 secs Computing kpt #: 118 total cpu time spent up to now is 95.0 secs Computing kpt #: 119 total cpu time spent up to now is 95.8 secs Computing kpt #: 120 total cpu time spent up to now is 96.6 secs Computing kpt #: 121 total cpu time spent up to now is 97.5 secs Computing kpt #: 122 total cpu time spent up to now is 98.3 secs Computing kpt #: 123 total cpu time spent up to now is 99.2 secs Computing kpt #: 124 total cpu time spent up to now is 100.1 secs Computing kpt #: 125 total cpu time spent up to now is 101.1 secs Computing kpt #: 126 total cpu time spent up to now is 102.2 secs Computing kpt #: 127 total cpu time spent up to now is 103.3 secs Computing kpt #: 128 total cpu time spent up to now is 104.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.2 secs Computing kpt #: 130 total cpu time spent up to now is 107.4 secs Computing kpt #: 131 total cpu time spent up to now is 108.5 secs Computing kpt #: 132 total cpu time spent up to now is 109.6 secs Computing kpt #: 133 total cpu time spent up to now is 110.6 secs Computing kpt #: 134 total cpu time spent up to now is 111.5 secs Computing kpt #: 135 total cpu time spent up to now is 112.4 secs Computing kpt #: 136 total cpu time spent up to now is 113.3 secs Computing kpt #: 137 total cpu time spent up to now is 114.2 secs Computing kpt #: 138 total cpu time spent up to now is 115.1 secs Computing kpt #: 139 total cpu time spent up to now is 116.0 secs Computing kpt #: 140 total cpu time spent up to now is 116.8 secs Computing kpt #: 141 total cpu time spent up to now is 117.7 secs Computing kpt #: 142 total cpu time spent up to now is 118.4 secs Computing kpt #: 143 total cpu time spent up to now is 119.3 secs Computing kpt #: 144 total cpu time spent up to now is 120.1 secs Computing kpt #: 145 total cpu time spent up to now is 120.9 secs Computing kpt #: 146 total cpu time spent up to now is 121.7 secs Computing kpt #: 147 total cpu time spent up to now is 122.5 secs Computing kpt #: 148 total cpu time spent up to now is 123.3 secs Computing kpt #: 149 total cpu time spent up to now is 124.1 secs Computing kpt #: 150 total cpu time spent up to now is 124.9 secs Computing kpt #: 151 total cpu time spent up to now is 125.7 secs Computing kpt #: 152 total cpu time spent up to now is 126.5 secs Computing kpt #: 153 total cpu time spent up to now is 127.2 secs Computing kpt #: 154 total cpu time spent up to now is 127.9 secs Computing kpt #: 155 total cpu time spent up to now is 128.7 secs Computing kpt #: 156 total cpu time spent up to now is 129.4 secs Computing kpt #: 157 total cpu time spent up to now is 130.1 secs Computing kpt #: 158 total cpu time spent up to now is 130.8 secs Computing kpt #: 159 total cpu time spent up to now is 131.6 secs Computing kpt #: 160 total cpu time spent up to now is 132.3 secs Computing kpt #: 161 total cpu time spent up to now is 133.1 secs Computing kpt #: 162 total cpu time spent up to now is 133.8 secs Computing kpt #: 163 total cpu time spent up to now is 134.5 secs Computing kpt #: 164 total cpu time spent up to now is 135.2 secs Computing kpt #: 165 total cpu time spent up to now is 135.9 secs Computing kpt #: 166 total cpu time spent up to now is 136.7 secs Computing kpt #: 167 total cpu time spent up to now is 137.4 secs Computing kpt #: 168 total cpu time spent up to now is 138.1 secs Computing kpt #: 169 total cpu time spent up to now is 138.8 secs Computing kpt #: 170 total cpu time spent up to now is 139.5 secs Computing kpt #: 171 total cpu time spent up to now is 140.3 secs Computing kpt #: 172 total cpu time spent up to now is 141.0 secs Computing kpt #: 173 total cpu time spent up to now is 141.7 secs Computing kpt #: 174 total cpu time spent up to now is 142.5 secs Computing kpt #: 175 total cpu time spent up to now is 143.2 secs Computing kpt #: 176 total cpu time spent up to now is 144.0 secs Computing kpt #: 177 total cpu time spent up to now is 144.8 secs Computing kpt #: 178 total cpu time spent up to now is 145.6 secs Computing kpt #: 179 total cpu time spent up to now is 146.4 secs Computing kpt #: 180 total cpu time spent up to now is 147.2 secs Computing kpt #: 181 total cpu time spent up to now is 148.0 secs Computing kpt #: 182 total cpu time spent up to now is 148.9 secs Computing kpt #: 183 total cpu time spent up to now is 149.9 secs Computing kpt #: 184 total cpu time spent up to now is 150.8 secs Computing kpt #: 185 total cpu time spent up to now is 151.7 secs Computing kpt #: 186 total cpu time spent up to now is 152.5 secs Computing kpt #: 187 total cpu time spent up to now is 153.3 secs Computing kpt #: 188 total cpu time spent up to now is 154.1 secs Computing kpt #: 189 total cpu time spent up to now is 154.9 secs Computing kpt #: 190 total cpu time spent up to now is 155.7 secs Computing kpt #: 191 total cpu time spent up to now is 156.7 secs Computing kpt #: 192 total cpu time spent up to now is 157.8 secs Computing kpt #: 193 total cpu time spent up to now is 158.9 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.3 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 196 total cpu time spent up to now is 162.8 secs Computing kpt #: 197 total cpu time spent up to now is 163.6 secs Computing kpt #: 198 total cpu time spent up to now is 164.4 secs Computing kpt #: 199 total cpu time spent up to now is 165.2 secs Computing kpt #: 200 total cpu time spent up to now is 165.9 secs Computing kpt #: 201 total cpu time spent up to now is 166.6 secs Computing kpt #: 202 total cpu time spent up to now is 167.3 secs Computing kpt #: 203 total cpu time spent up to now is 168.0 secs Computing kpt #: 204 total cpu time spent up to now is 168.7 secs Computing kpt #: 205 total cpu time spent up to now is 169.4 secs Computing kpt #: 206 total cpu time spent up to now is 170.0 secs Computing kpt #: 207 total cpu time spent up to now is 170.6 secs Computing kpt #: 208 total cpu time spent up to now is 171.3 secs Computing kpt #: 209 total cpu time spent up to now is 171.9 secs Computing kpt #: 210 total cpu time spent up to now is 172.5 secs Computing kpt #: 211 total cpu time spent up to now is 173.1 secs Computing kpt #: 212 total cpu time spent up to now is 173.7 secs Computing kpt #: 213 total cpu time spent up to now is 174.3 secs Computing kpt #: 214 total cpu time spent up to now is 174.9 secs Computing kpt #: 215 total cpu time spent up to now is 175.5 secs Computing kpt #: 216 total cpu time spent up to now is 176.2 secs Computing kpt #: 217 total cpu time spent up to now is 176.8 secs Computing kpt #: 218 total cpu time spent up to now is 177.3 secs Computing kpt #: 219 total cpu time spent up to now is 178.0 secs Computing kpt #: 220 total cpu time spent up to now is 178.6 secs Computing kpt #: 221 total cpu time spent up to now is 179.3 secs Computing kpt #: 222 total cpu time spent up to now is 180.0 secs Computing kpt #: 223 total cpu time spent up to now is 180.7 secs Computing kpt #: 224 total cpu time spent up to now is 181.5 secs Computing kpt #: 225 total cpu time spent up to now is 182.3 secs Computing kpt #: 226 total cpu time spent up to now is 183.1 secs Computing kpt #: 227 total cpu time spent up to now is 183.9 secs Computing kpt #: 228 total cpu time spent up to now is 184.7 secs Computing kpt #: 229 total cpu time spent up to now is 185.5 secs Computing kpt #: 230 total cpu time spent up to now is 186.2 secs Computing kpt #: 231 total cpu time spent up to now is 187.0 secs Computing kpt #: 232 total cpu time spent up to now is 187.8 secs Computing kpt #: 233 total cpu time spent up to now is 188.6 secs Computing kpt #: 234 total cpu time spent up to now is 189.4 secs Computing kpt #: 235 total cpu time spent up to now is 190.3 secs Computing kpt #: 236 total cpu time spent up to now is 191.3 secs Computing kpt #: 237 total cpu time spent up to now is 192.3 secs Computing kpt #: 238 total cpu time spent up to now is 193.4 secs Computing kpt #: 239 total cpu time spent up to now is 194.2 secs Computing kpt #: 240 total cpu time spent up to now is 195.0 secs Computing kpt #: 241 total cpu time spent up to now is 195.8 secs Computing kpt #: 242 total cpu time spent up to now is 196.7 secs Computing kpt #: 243 total cpu time spent up to now is 197.5 secs Computing kpt #: 244 total cpu time spent up to now is 198.3 secs Computing kpt #: 245 total cpu time spent up to now is 199.1 secs Computing kpt #: 246 total cpu time spent up to now is 199.9 secs Computing kpt #: 247 total cpu time spent up to now is 200.7 secs Computing kpt #: 248 total cpu time spent up to now is 201.6 secs Computing kpt #: 249 total cpu time spent up to now is 202.4 secs Computing kpt #: 250 total cpu time spent up to now is 203.2 secs Computing kpt #: 251 total cpu time spent up to now is 204.1 secs Computing kpt #: 252 total cpu time spent up to now is 205.0 secs Computing kpt #: 253 total cpu time spent up to now is 206.0 secs Computing kpt #: 254 total cpu time spent up to now is 207.2 secs Computing kpt #: 255 total cpu time spent up to now is 208.0 secs Computing kpt #: 256 total cpu time spent up to now is 208.8 secs Computing kpt #: 257 total cpu time spent up to now is 209.6 secs Computing kpt #: 258 total cpu time spent up to now is 210.4 secs Computing kpt #: 259 total cpu time spent up to now is 211.2 secs Computing kpt #: 260 total cpu time spent up to now is 212.0 secs Computing kpt #: 261 total cpu time spent up to now is 212.8 secs Computing kpt #: 262 total cpu time spent up to now is 213.6 secs Computing kpt #: 263 total cpu time spent up to now is 214.5 secs Computing kpt #: 264 total cpu time spent up to now is 215.3 secs Computing kpt #: 265 total cpu time spent up to now is 216.4 secs Computing kpt #: 266 total cpu time spent up to now is 217.2 secs Computing kpt #: 267 total cpu time spent up to now is 218.0 secs Computing kpt #: 268 total cpu time spent up to now is 219.0 secs Computing kpt #: 269 total cpu time spent up to now is 220.1 secs Computing kpt #: 270 total cpu time spent up to now is 221.1 secs Computing kpt #: 271 total cpu time spent up to now is 222.1 secs Computing kpt #: 272 total cpu time spent up to now is 223.2 secs Computing kpt #: 273 total cpu time spent up to now is 224.2 secs Computing kpt #: 274 total cpu time spent up to now is 225.3 secs Computing kpt #: 275 total cpu time spent up to now is 226.3 secs Computing kpt #: 276 total cpu time spent up to now is 227.2 secs Computing kpt #: 277 total cpu time spent up to now is 228.1 secs Computing kpt #: 278 total cpu time spent up to now is 229.1 secs Computing kpt #: 279 total cpu time spent up to now is 230.1 secs Computing kpt #: 280 total cpu time spent up to now is 231.2 secs Computing kpt #: 281 total cpu time spent up to now is 232.2 secs Computing kpt #: 282 total cpu time spent up to now is 233.3 secs Computing kpt #: 283 total cpu time spent up to now is 234.2 secs Computing kpt #: 284 total cpu time spent up to now is 235.3 secs Computing kpt #: 285 total cpu time spent up to now is 236.2 secs Computing kpt #: 286 total cpu time spent up to now is 237.3 secs Computing kpt #: 287 total cpu time spent up to now is 238.3 secs Computing kpt #: 288 total cpu time spent up to now is 239.2 secs Computing kpt #: 289 total cpu time spent up to now is 240.3 secs Computing kpt #: 290 total cpu time spent up to now is 241.2 secs Computing kpt #: 291 total cpu time spent up to now is 242.3 secs Computing kpt #: 292 total cpu time spent up to now is 243.5 secs Computing kpt #: 293 total cpu time spent up to now is 244.6 secs Computing kpt #: 294 total cpu time spent up to now is 245.7 secs Computing kpt #: 295 total cpu time spent up to now is 246.8 secs Computing kpt #: 296 total cpu time spent up to now is 247.8 secs Computing kpt #: 297 total cpu time spent up to now is 248.9 secs Computing kpt #: 298 total cpu time spent up to now is 250.0 secs Computing kpt #: 299 total cpu time spent up to now is 251.0 secs Computing kpt #: 300 total cpu time spent up to now is 252.0 secs Computing kpt #: 301 total cpu time spent up to now is 253.0 secs Computing kpt #: 302 total cpu time spent up to now is 254.0 secs Computing kpt #: 303 total cpu time spent up to now is 255.0 secs Computing kpt #: 304 total cpu time spent up to now is 256.0 secs Computing kpt #: 305 total cpu time spent up to now is 257.0 secs Computing kpt #: 306 total cpu time spent up to now is 258.1 secs Computing kpt #: 307 total cpu time spent up to now is 259.0 secs Computing kpt #: 308 total cpu time spent up to now is 259.9 secs Computing kpt #: 309 total cpu time spent up to now is 260.8 secs Computing kpt #: 310 total cpu time spent up to now is 261.7 secs Computing kpt #: 311 total cpu time spent up to now is 262.5 secs Computing kpt #: 312 total cpu time spent up to now is 263.5 secs Computing kpt #: 313 total cpu time spent up to now is 264.3 secs Computing kpt #: 314 total cpu time spent up to now is 265.0 secs Computing kpt #: 315 total cpu time spent up to now is 265.7 secs Computing kpt #: 316 total cpu time spent up to now is 266.4 secs Computing kpt #: 317 total cpu time spent up to now is 267.0 secs Computing kpt #: 318 total cpu time spent up to now is 267.7 secs Computing kpt #: 319 total cpu time spent up to now is 268.4 secs Computing kpt #: 320 total cpu time spent up to now is 269.0 secs Computing kpt #: 321 total cpu time spent up to now is 269.7 secs Computing kpt #: 322 total cpu time spent up to now is 270.3 secs Computing kpt #: 323 total cpu time spent up to now is 271.0 secs Computing kpt #: 324 total cpu time spent up to now is 271.7 secs Computing kpt #: 325 total cpu time spent up to now is 272.4 secs Computing kpt #: 326 total cpu time spent up to now is 273.1 secs Computing kpt #: 327 total cpu time spent up to now is 273.8 secs Computing kpt #: 328 total cpu time spent up to now is 274.5 secs Computing kpt #: 329 total cpu time spent up to now is 275.3 secs Computing kpt #: 330 total cpu time spent up to now is 276.0 secs Computing kpt #: 331 total cpu time spent up to now is 276.9 secs ethr = 3.13E-08, avg # of iterations = 46.1 total cpu time spent up to now is 276.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1702 -13.1702 -12.8303 -12.8303 -12.6799 -12.6799 -12.4970 -12.4970 -12.4673 -12.4673 -12.4270 -12.4270 -8.7834 -8.7834 -3.3683 -3.3683 2.2920 2.2920 3.9609 3.9609 4.0447 4.0447 6.6481 6.6481 7.3496 7.3496 7.3619 7.3619 10.2582 10.2582 11.5115 11.5115 11.8831 11.8831 11.8876 11.8876 k = 0.0098-0.0164-0.0100 ( 2725 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1700 -13.1700 -12.8306 -12.8306 -12.6799 -12.6799 -12.4973 -12.4973 -12.4672 -12.4672 -12.4272 -12.4272 -8.7830 -8.7830 -3.3680 -3.3680 2.2926 2.2926 3.9595 3.9595 4.0433 4.0433 6.6483 6.6483 7.3481 7.3481 7.3607 7.3607 10.2626 10.2626 11.5139 11.5139 11.8815 11.8815 11.8880 11.8880 k = 0.0196-0.0329-0.0200 ( 2725 PWs) bands (ev): -31.6962 -31.6962 -31.6215 -31.6215 -13.1697 -13.1697 -12.8311 -12.8311 -12.6802 -12.6802 -12.4983 -12.4983 -12.4670 -12.4670 -12.4278 -12.4278 -8.7820 -8.7820 -3.3673 -3.3673 2.2943 2.2943 3.9553 3.9553 4.0393 4.0393 6.6490 6.6490 7.3423 7.3423 7.3584 7.3584 10.2758 10.2758 11.5208 11.5208 11.8735 11.8735 11.8929 11.8929 k = 0.0294-0.0493-0.0299 ( 2723 PWs) bands (ev): -31.6960 -31.6960 -31.6214 -31.6214 -13.1691 -13.1691 -12.8320 -12.8320 -12.6805 -12.6805 -12.4998 -12.4998 -12.4666 -12.4666 -12.4287 -12.4287 -8.7804 -8.7804 -3.3661 -3.3661 2.2972 2.2972 3.9478 3.9478 4.0331 4.0331 6.6502 6.6502 7.3307 7.3307 7.3569 7.3569 10.2974 10.2974 11.5322 11.5322 11.8596 11.8596 11.9018 11.9018 k = 0.0392-0.0658-0.0399 ( 2721 PWs) bands (ev): -31.6957 -31.6957 -31.6214 -31.6214 -13.1682 -13.1682 -12.8333 -12.8333 -12.6810 -12.6810 -12.5018 -12.5018 -12.4662 -12.4662 -12.4300 -12.4300 -8.7780 -8.7780 -3.3645 -3.3645 2.3011 2.3011 3.9365 3.9365 4.0252 4.0252 6.6519 6.6519 7.3137 7.3137 7.3561 7.3561 10.3271 10.3271 11.5476 11.5476 11.8406 11.8406 11.9143 11.9143 k = 0.0490-0.0822-0.0499 ( 2719 PWs) bands (ev): -31.6953 -31.6953 -31.6213 -31.6213 -13.1671 -13.1671 -12.8350 -12.8350 -12.6816 -12.6816 -12.5043 -12.5043 -12.4658 -12.4658 -12.4316 -12.4316 -8.7751 -8.7751 -3.3624 -3.3624 2.3061 2.3061 3.9208 3.9208 4.0164 4.0164 6.6541 6.6541 7.2921 7.2921 7.3555 7.3555 10.3641 10.3641 11.5661 11.5661 11.8178 11.8178 11.9305 11.9305 k = 0.0588-0.0987-0.0599 ( 2718 PWs) bands (ev): -31.6949 -31.6949 -31.6212 -31.6212 -13.1658 -13.1658 -12.8370 -12.8370 -12.6823 -12.6823 -12.5072 -12.5072 -12.4656 -12.4656 -12.4334 -12.4334 -8.7715 -8.7715 -3.3598 -3.3598 2.3122 2.3122 3.9004 3.9004 4.0072 4.0072 6.6567 6.6567 7.2668 7.2668 7.3550 7.3550 10.4078 10.4078 11.5858 11.5858 11.7932 11.7932 11.9500 11.9500 k = 0.0686-0.1151-0.0698 ( 2716 PWs) bands (ev): -31.6944 -31.6944 -31.6211 -31.6211 -13.1642 -13.1642 -12.8394 -12.8394 -12.6832 -12.6832 -12.5104 -12.5104 -12.4655 -12.4655 -12.4355 -12.4355 -8.7673 -8.7673 -3.3568 -3.3568 2.3193 2.3193 3.8751 3.8751 3.9980 3.9980 6.6598 6.6598 7.2383 7.2383 7.3545 7.3545 10.4575 10.4575 11.6025 11.6025 11.7715 11.7715 11.9730 11.9730 k = 0.0784-0.1316-0.0798 ( 2714 PWs) bands (ev): -31.6938 -31.6938 -31.6210 -31.6210 -13.1625 -13.1625 -12.8422 -12.8422 -12.6842 -12.6842 -12.5138 -12.5138 -12.4658 -12.4658 -12.4376 -12.4376 -8.7625 -8.7625 -3.3534 -3.3534 2.3273 2.3273 3.8451 3.8451 3.9888 3.9888 6.6634 6.6634 7.2072 7.2072 7.3541 7.3541 10.5123 10.5123 11.6075 11.6075 11.7618 11.7618 11.9992 11.9992 k = 0.0882-0.1480-0.0898 ( 2719 PWs) bands (ev): -31.6931 -31.6931 -31.6209 -31.6209 -13.1606 -13.1606 -12.8453 -12.8453 -12.6853 -12.6853 -12.5176 -12.5176 -12.4665 -12.4665 -12.4397 -12.4397 -8.7572 -8.7572 -3.3495 -3.3495 2.3363 2.3363 3.8106 3.8106 3.9795 3.9795 6.6676 6.6676 7.1742 7.1742 7.3536 7.3536 10.5713 10.5713 11.5927 11.5927 11.7723 11.7723 12.0286 12.0286 k = 0.0980-0.1645-0.0998 ( 2721 PWs) bands (ev): -31.6924 -31.6924 -31.6208 -31.6208 -13.1585 -13.1585 -12.8488 -12.8488 -12.6866 -12.6866 -12.5216 -12.5216 -12.4678 -12.4678 -12.4418 -12.4418 -8.7513 -8.7513 -3.3452 -3.3452 2.3460 2.3460 3.7720 3.7720 3.9700 3.9700 6.6722 6.6722 7.1397 7.1397 7.3532 7.3532 10.6339 10.6339 11.5611 11.5611 11.8005 11.8005 12.0611 12.0611 k = 0.1078-0.1809-0.1097 ( 2723 PWs) bands (ev): -31.6916 -31.6916 -31.6206 -31.6206 -13.1562 -13.1562 -12.8526 -12.8526 -12.6879 -12.6879 -12.5258 -12.5258 -12.4695 -12.4695 -12.4436 -12.4436 -8.7449 -8.7449 -3.3405 -3.3405 2.3566 2.3566 3.7296 3.7296 3.9602 3.9602 6.6773 6.6773 7.1043 7.1043 7.3527 7.3527 10.6992 10.6992 11.5204 11.5204 11.8390 11.8390 12.0964 12.0964 k = 0.1176-0.1974-0.1197 ( 2723 PWs) bands (ev): -31.6907 -31.6907 -31.6205 -31.6205 -13.1537 -13.1537 -12.8568 -12.8568 -12.6893 -12.6893 -12.5301 -12.5301 -12.4719 -12.4719 -12.4452 -12.4452 -8.7380 -8.7380 -3.3353 -3.3353 2.3678 2.3678 3.6839 3.6839 3.9501 3.9501 6.6830 6.6830 7.0683 7.0683 7.3523 7.3523 10.7665 10.7665 11.4749 11.4749 11.8831 11.8831 12.1345 12.1345 k = 0.1275-0.2138-0.1297 ( 2723 PWs) bands (ev): -31.6898 -31.6898 -31.6203 -31.6203 -13.1512 -13.1512 -12.8613 -12.8613 -12.6908 -12.6908 -12.5347 -12.5347 -12.4748 -12.4748 -12.4466 -12.4466 -8.7306 -8.7306 -3.3298 -3.3298 2.3797 2.3797 3.6352 3.6352 3.9396 3.9396 6.6892 6.6892 7.0321 7.0321 7.3519 7.3519 10.8350 10.8350 11.4269 11.4269 11.9307 11.9307 12.1752 12.1752 k = 0.1373-0.2303-0.1397 ( 2725 PWs) bands (ev): -31.6888 -31.6888 -31.6201 -31.6201 -13.1485 -13.1485 -12.8661 -12.8661 -12.6924 -12.6924 -12.5394 -12.5394 -12.4782 -12.4782 -12.4477 -12.4477 -8.7229 -8.7229 -3.3240 -3.3240 2.3922 2.3922 3.5837 3.5837 3.9288 3.9288 6.6960 6.6960 6.9960 6.9960 7.3515 7.3515 10.9043 10.9043 11.3778 11.3778 11.9797 11.9797 12.2182 12.2182 k = 0.1471-0.2467-0.1496 ( 2730 PWs) bands (ev): -31.6877 -31.6877 -31.6200 -31.6200 -13.1457 -13.1457 -12.8712 -12.8712 -12.6940 -12.6940 -12.5442 -12.5442 -12.4821 -12.4821 -12.4487 -12.4487 -8.7147 -8.7147 -3.3178 -3.3178 2.4052 2.4052 3.5299 3.5299 3.9175 3.9175 6.7034 6.7034 6.9602 6.9602 7.3511 7.3511 10.9735 10.9735 11.3282 11.3282 12.0288 12.0288 12.2634 12.2634 k = 0.1569-0.2631-0.1596 ( 2728 PWs) bands (ev): -31.6866 -31.6866 -31.6198 -31.6198 -13.1429 -13.1429 -12.8766 -12.8766 -12.6957 -12.6957 -12.5491 -12.5491 -12.4862 -12.4862 -12.4496 -12.4496 -8.7062 -8.7062 -3.3113 -3.3113 2.4186 2.4186 3.4740 3.4740 3.9059 3.9059 6.7113 6.7113 6.9249 6.9249 7.3508 7.3508 11.0423 11.0423 11.2789 11.2789 12.0763 12.0763 12.3104 12.3104 k = 0.1667-0.2796-0.1696 ( 2728 PWs) bands (ev): -31.6854 -31.6854 -31.6196 -31.6196 -13.1400 -13.1400 -12.8823 -12.8823 -12.6975 -12.6975 -12.5541 -12.5541 -12.4905 -12.4905 -12.4504 -12.4504 -8.6974 -8.6974 -3.3045 -3.3045 2.4324 2.4324 3.4164 3.4164 3.8939 3.8939 6.7198 6.7198 6.8903 6.8903 7.3505 7.3505 11.1100 11.1100 11.2302 11.2302 12.1205 12.1205 12.3590 12.3590 k = 0.1765-0.2960-0.1796 ( 2722 PWs) bands (ev): -31.6842 -31.6842 -31.6195 -31.6195 -13.1370 -13.1370 -12.8882 -12.8882 -12.6992 -12.6992 -12.5592 -12.5592 -12.4950 -12.4950 -12.4512 -12.4512 -8.6882 -8.6882 -3.2974 -3.2974 2.4464 2.4464 3.3573 3.3573 3.8816 3.8816 6.7288 6.7288 6.8565 6.8565 7.3502 7.3502 11.1726 11.1726 11.1862 11.1862 12.1597 12.1597 12.4089 12.4089 k = 0.1863-0.3125-0.1895 ( 2724 PWs) bands (ev): -31.6829 -31.6829 -31.6193 -31.6193 -13.1341 -13.1341 -12.8945 -12.8945 -12.7009 -12.7009 -12.5643 -12.5643 -12.4997 -12.4997 -12.4520 -12.4520 -8.6789 -8.6789 -3.2901 -3.2901 2.4607 2.4607 3.2971 3.2971 3.8690 3.8690 6.7378 6.7378 6.8240 6.8240 7.3500 7.3500 11.1349 11.1349 11.2417 11.2417 12.1923 12.1923 12.4595 12.4595 k = 0.1961-0.3289-0.1995 ( 2726 PWs) bands (ev): -31.6816 -31.6816 -31.6191 -31.6191 -13.1311 -13.1311 -12.9009 -12.9009 -12.7027 -12.7027 -12.5695 -12.5695 -12.5044 -12.5044 -12.4528 -12.4528 -8.6693 -8.6693 -3.2826 -3.2826 2.4752 2.4752 3.2360 3.2360 3.8562 3.8562 6.7452 6.7452 6.7945 6.7945 7.3498 7.3498 11.0898 11.0898 11.3038 11.3038 12.2177 12.2177 12.5105 12.5105 k = 0.2059-0.3454-0.2095 ( 2726 PWs) bands (ev): -31.6803 -31.6803 -31.6190 -31.6190 -13.1282 -13.1282 -12.9076 -12.9076 -12.7044 -12.7044 -12.5747 -12.5747 -12.5091 -12.5091 -12.4536 -12.4536 -8.6596 -8.6596 -3.2749 -3.2749 2.4897 2.4897 3.1745 3.1745 3.8432 3.8432 6.7410 6.7410 6.7780 6.7780 7.3496 7.3496 11.0460 11.0460 11.3633 11.3633 12.2360 12.2360 12.5617 12.5627 k = 0.2157-0.3618-0.2195 ( 2724 PWs) bands (ev): -31.6789 -31.6789 -31.6188 -31.6188 -13.1254 -13.1254 -12.9144 -12.9144 -12.7060 -12.7060 -12.5799 -12.5799 -12.5137 -12.5137 -12.4545 -12.4545 -8.6497 -8.6497 -3.2670 -3.2670 2.5043 2.5043 3.1126 3.1126 3.8301 3.8301 6.7169 6.7169 6.7826 6.7826 7.3494 7.3494 11.0039 11.0039 11.4197 11.4197 12.2482 12.2482 12.5578 12.5578 k = 0.2255-0.3783-0.2295 ( 2720 PWs) bands (ev): -31.6774 -31.6774 -31.6187 -31.6187 -13.1227 -13.1227 -12.9214 -12.9214 -12.7076 -12.7076 -12.5851 -12.5851 -12.5183 -12.5183 -12.4554 -12.4554 -8.6398 -8.6398 -3.2590 -3.2590 2.5188 2.5188 3.0508 3.0508 3.8168 3.8168 6.6875 6.6875 6.7938 6.7938 7.3493 7.3493 10.9635 10.9635 11.4726 11.4726 12.2559 12.2559 12.5503 12.5503 k = 0.2353-0.3947-0.2394 ( 2727 PWs) bands (ev): -31.6760 -31.6760 -31.6186 -31.6186 -13.1200 -13.1200 -12.9285 -12.9285 -12.7091 -12.7091 -12.5902 -12.5902 -12.5229 -12.5229 -12.4564 -12.4564 -8.6297 -8.6297 -3.2510 -3.2510 2.5332 2.5332 2.9894 2.9894 3.8035 3.8035 6.6571 6.6571 6.8071 6.8071 7.3492 7.3492 10.9248 10.9248 11.5215 11.5215 12.2607 12.2607 12.5401 12.5401 k = 0.2451-0.4112-0.2494 ( 2725 PWs) bands (ev): -31.6745 -31.6745 -31.6185 -31.6185 -13.1175 -13.1175 -12.9358 -12.9358 -12.7105 -12.7105 -12.5953 -12.5953 -12.5274 -12.5274 -12.4574 -12.4574 -8.6197 -8.6197 -3.2429 -3.2429 2.5472 2.5472 2.9287 2.9287 3.7902 3.7902 6.6266 6.6266 6.8215 6.8215 7.3491 7.3491 10.8880 10.8880 11.5660 11.5660 12.2639 12.2639 12.5278 12.5278 k = 0.2549-0.4276-0.2594 ( 2727 PWs) bands (ev): -31.6730 -31.6730 -31.6184 -31.6184 -13.1151 -13.1151 -12.9431 -12.9431 -12.7118 -12.7118 -12.6003 -12.6003 -12.5318 -12.5318 -12.4585 -12.4585 -8.6096 -8.6096 -3.2348 -3.2348 2.5608 2.5608 2.8691 2.8691 3.7769 3.7769 6.5963 6.5963 6.8367 6.8367 7.3490 7.3490 10.8530 10.8530 11.6058 11.6058 12.2668 12.2668 12.5140 12.5140 k = 0.2647-0.4441-0.2694 ( 2727 PWs) bands (ev): -31.6715 -31.6715 -31.6183 -31.6183 -13.1128 -13.1128 -12.9505 -12.9505 -12.7129 -12.7129 -12.6051 -12.6051 -12.5361 -12.5361 -12.4596 -12.4596 -8.5997 -8.5997 -3.2268 -3.2268 2.5734 2.5734 2.8113 2.8113 3.7637 3.7637 6.5661 6.5661 6.8527 6.8527 7.3489 7.3489 10.8197 10.8197 11.6405 11.6405 12.2700 12.2700 12.4996 12.4996 k = 0.2745-0.4605-0.2793 ( 2725 PWs) bands (ev): -31.6700 -31.6700 -31.6183 -31.6183 -13.1107 -13.1107 -12.9578 -12.9578 -12.7139 -12.7139 -12.6099 -12.6099 -12.5403 -12.5403 -12.4607 -12.4607 -8.5898 -8.5898 -3.2188 -3.2188 2.5841 2.5841 2.7565 2.7565 3.7507 3.7507 6.5360 6.5360 6.8692 6.8692 7.3488 7.3488 10.7883 10.7883 11.6699 11.6699 12.2743 12.2743 12.4852 12.4852 k = 0.2843-0.4770-0.2893 ( 2724 PWs) bands (ev): -31.6685 -31.6685 -31.6182 -31.6182 -13.1088 -13.1088 -12.9652 -12.9652 -12.7147 -12.7147 -12.6145 -12.6145 -12.5443 -12.5443 -12.4618 -12.4618 -8.5800 -8.5800 -3.2109 -3.2109 2.5896 2.5896 2.7079 2.7079 3.7378 3.7378 6.5061 6.5061 6.8862 6.8862 7.3486 7.3486 10.7587 10.7587 11.6937 11.6937 12.2800 12.2800 12.4714 12.4714 k = 0.2941-0.4934-0.2993 ( 2728 PWs) bands (ev): -31.6670 -31.6670 -31.6182 -31.6182 -13.1071 -13.1071 -12.9726 -12.9726 -12.7154 -12.7154 -12.6190 -12.6190 -12.5483 -12.5483 -12.4630 -12.4630 -8.5704 -8.5704 -3.2031 -3.2031 2.5809 2.5809 2.6748 2.6748 3.7252 3.7252 6.4764 6.4764 6.9035 6.9035 7.3485 7.3485 10.7307 10.7307 11.7120 11.7120 12.2875 12.2875 12.4588 12.4588 k = 0.3039-0.5098-0.3093 ( 2729 PWs) bands (ev): -31.6654 -31.6654 -31.6183 -31.6183 -13.1056 -13.1056 -12.9798 -12.9798 -12.7159 -12.7159 -12.6233 -12.6233 -12.5521 -12.5521 -12.4642 -12.4642 -8.5609 -8.5609 -3.1955 -3.1955 2.5498 2.5498 2.6656 2.6656 3.7129 3.7129 6.4469 6.4469 6.9211 6.9211 7.3483 7.3483 10.7044 10.7044 11.7249 11.7249 12.2968 12.2968 12.4477 12.4477 k = 0.3137-0.5263-0.3192 ( 2729 PWs) bands (ev): -31.6639 -31.6639 -31.6183 -31.6183 -13.1042 -13.1042 -12.9870 -12.9870 -12.7162 -12.7162 -12.6274 -12.6274 -12.5558 -12.5558 -12.4654 -12.4654 -8.5517 -8.5517 -3.1881 -3.1881 2.5061 2.5061 2.6706 2.6706 3.7008 3.7008 6.4177 6.4177 6.9388 6.9388 7.3481 7.3481 10.6798 10.6798 11.7328 11.7328 12.3083 12.3083 12.4385 12.4385 k = 0.3235-0.5427-0.3292 ( 2723 PWs) bands (ev): -31.6624 -31.6624 -31.6183 -31.6183 -13.1030 -13.1030 -12.9940 -12.9940 -12.7164 -12.7164 -12.6313 -12.6313 -12.5593 -12.5593 -12.4666 -12.4666 -8.5427 -8.5427 -3.1810 -3.1810 2.4594 2.4594 2.6803 2.6803 3.6892 3.6892 6.3888 6.3888 6.9565 6.9565 7.3480 7.3480 10.6568 10.6568 11.7359 11.7359 12.3217 12.3217 12.4312 12.4312 k = 0.3333-0.5592-0.3392 ( 2724 PWs) bands (ev): -31.6609 -31.6609 -31.6184 -31.6184 -13.1019 -13.1019 -13.0008 -13.0008 -12.7164 -12.7164 -12.6350 -12.6350 -12.5627 -12.5627 -12.4678 -12.4678 -8.5340 -8.5340 -3.1741 -3.1741 2.4128 2.4128 2.6916 2.6916 3.6779 3.6779 6.3603 6.3603 6.9739 6.9739 7.3477 7.3477 10.6354 10.6354 11.7349 11.7349 12.3369 12.3369 12.4262 12.4262 k = 0.3431-0.5756-0.3492 ( 2728 PWs) bands (ev): -31.6595 -31.6595 -31.6186 -31.6186 -13.1011 -13.1011 -13.0075 -13.0075 -12.7162 -12.7162 -12.6385 -12.6385 -12.5660 -12.5660 -12.4690 -12.4690 -8.5257 -8.5257 -3.1674 -3.1674 2.3676 2.3676 2.7035 2.7035 3.6671 3.6671 6.3323 6.3323 6.9911 6.9911 7.3475 7.3475 10.6154 10.6154 11.7303 11.7303 12.3532 12.3532 12.4240 12.4240 k = 0.3529-0.5921-0.3591 ( 2726 PWs) bands (ev): -31.6580 -31.6580 -31.6187 -31.6187 -13.1004 -13.1004 -13.0140 -13.0140 -12.7159 -12.7159 -12.6417 -12.6417 -12.5692 -12.5692 -12.4702 -12.4702 -8.5176 -8.5176 -3.1611 -3.1611 2.3241 2.3241 2.7155 2.7155 3.6567 3.6567 6.3049 6.3049 7.0079 7.0079 7.3472 7.3472 10.5968 10.5968 11.7229 11.7229 12.3695 12.3695 12.4258 12.4258 k = 0.3627-0.6085-0.3691 ( 2726 PWs) bands (ev): -31.6566 -31.6566 -31.6189 -31.6189 -13.0998 -13.0998 -13.0201 -13.0201 -12.7156 -12.7156 -12.6448 -12.6448 -12.5722 -12.5722 -12.4714 -12.4714 -8.5100 -8.5100 -3.1551 -3.1551 2.2829 2.2829 2.7274 2.7274 3.6469 3.6469 6.2784 6.2784 7.0241 7.0241 7.3469 7.3469 10.5797 10.5797 11.7132 11.7132 12.3831 12.3831 12.4339 12.4339 k = 0.3725-0.6250-0.3791 ( 2724 PWs) bands (ev): -31.6553 -31.6553 -31.6190 -31.6190 -13.0993 -13.0993 -13.0260 -13.0260 -12.7151 -12.7151 -12.6475 -12.6475 -12.5751 -12.5751 -12.4725 -12.4725 -8.5027 -8.5027 -3.1495 -3.1495 2.2440 2.2440 2.7390 2.7390 3.6376 3.6376 6.2527 6.2527 7.0396 7.0396 7.3466 7.3466 10.5640 10.5640 11.7020 11.7020 12.3923 12.3923 12.4497 12.4497 k = 0.3824-0.6414-0.3891 ( 2730 PWs) bands (ev): -31.6540 -31.6540 -31.6193 -31.6193 -13.0990 -13.0990 -13.0317 -13.0317 -12.7146 -12.7146 -12.6500 -12.6500 -12.5778 -12.5778 -12.4736 -12.4736 -8.4959 -8.4959 -3.1442 -3.1442 2.2075 2.2075 2.7502 2.7502 3.6288 3.6288 6.2280 6.2280 7.0544 7.0544 7.3463 7.3463 10.5495 10.5495 11.6896 11.6896 12.3983 12.3983 12.4716 12.4716 k = 0.3922-0.6579-0.3990 ( 2720 PWs) bands (ev): -31.6527 -31.6527 -31.6195 -31.6195 -13.0986 -13.0986 -13.0369 -13.0369 -12.7140 -12.7140 -12.6522 -12.6522 -12.5804 -12.5804 -12.4746 -12.4746 -8.4895 -8.4895 -3.1394 -3.1394 2.1737 2.1737 2.7609 2.7609 3.6207 3.6207 6.2046 6.2046 7.0683 7.0683 7.3460 7.3460 10.5364 10.5364 11.6766 11.6766 12.4032 12.4032 12.4970 12.4970 k = 0.4020-0.6743-0.4090 ( 2725 PWs) bands (ev): -31.6515 -31.6515 -31.6197 -31.6197 -13.0984 -13.0984 -13.0419 -13.0419 -12.7134 -12.7134 -12.6543 -12.6543 -12.5828 -12.5828 -12.4755 -12.4755 -8.4836 -8.4836 -3.1349 -3.1349 2.1426 2.1426 2.7710 2.7710 3.6132 3.6132 6.1825 6.1825 7.0812 7.0812 7.3457 7.3457 10.5245 10.5245 11.6635 11.6635 12.4081 12.4081 12.5243 12.5243 k = 0.4118-0.6908-0.4190 ( 2723 PWs) bands (ev): -31.6504 -31.6504 -31.6200 -31.6200 -13.0982 -13.0982 -13.0464 -13.0464 -12.7128 -12.7128 -12.6560 -12.6560 -12.5851 -12.5851 -12.4764 -12.4764 -8.4782 -8.4782 -3.1308 -3.1308 2.1142 2.1142 2.7804 2.7804 3.6063 3.6063 6.1620 6.1620 7.0931 7.0931 7.3454 7.3454 10.5138 10.5138 11.6507 11.6507 12.4132 12.4132 12.5526 12.5526 k = 0.4216-0.7072-0.4290 ( 2717 PWs) bands (ev): -31.6493 -31.6493 -31.6202 -31.6202 -13.0981 -13.0981 -13.0506 -13.0506 -12.7122 -12.7122 -12.6574 -12.6574 -12.5871 -12.5871 -12.4772 -12.4772 -8.4733 -8.4733 -3.1271 -3.1271 2.0886 2.0886 2.7891 2.7891 3.6001 3.6001 6.1431 6.1431 7.1039 7.1039 7.3452 7.3452 10.5044 10.5044 11.6384 11.6384 12.4187 12.4187 12.5809 12.5809 k = 0.4314-0.7237-0.4389 ( 2713 PWs) bands (ev): -31.6484 -31.6484 -31.6204 -31.6204 -13.0979 -13.0979 -13.0544 -13.0544 -12.7116 -12.7116 -12.6587 -12.6587 -12.5890 -12.5890 -12.4780 -12.4780 -8.4689 -8.4689 -3.1239 -3.1239 2.0660 2.0660 2.7970 2.7970 3.5946 3.5946 6.1260 6.1260 7.1136 7.1136 7.3449 7.3449 10.4961 10.4961 11.6270 11.6270 12.4243 12.4243 12.6086 12.6086 k = 0.4412-0.7401-0.4489 ( 2715 PWs) bands (ev): -31.6475 -31.6475 -31.6207 -31.6207 -13.0978 -13.0978 -13.0577 -13.0577 -12.7112 -12.7112 -12.6597 -12.6597 -12.5906 -12.5906 -12.4786 -12.4786 -8.4651 -8.4651 -3.1210 -3.1210 2.0463 2.0463 2.8039 2.8039 3.5898 3.5898 6.1109 6.1109 7.1220 7.1220 7.3447 7.3447 10.4890 10.4890 11.6167 11.6167 12.4298 12.4298 12.6349 12.6349 k = 0.4510-0.7565-0.4589 ( 2718 PWs) bands (ev): -31.6468 -31.6468 -31.6209 -31.6209 -13.0978 -13.0978 -13.0606 -13.0606 -12.7108 -12.7108 -12.6605 -12.6605 -12.5921 -12.5921 -12.4792 -12.4792 -8.4618 -8.4618 -3.1187 -3.1187 2.0295 2.0295 2.8100 2.8100 3.5857 3.5857 6.0979 6.0979 7.1292 7.1292 7.3445 7.3445 10.4830 10.4830 11.6076 11.6076 12.4351 12.4351 12.6591 12.6591 k = 0.4608-0.7730-0.4689 ( 2719 PWs) bands (ev): -31.6461 -31.6461 -31.6211 -31.6211 -13.0977 -13.0977 -13.0631 -13.0631 -12.7104 -12.7104 -12.6612 -12.6612 -12.5933 -12.5933 -12.4797 -12.4797 -8.4591 -8.4591 -3.1167 -3.1167 2.0158 2.0158 2.8150 2.8150 3.5823 3.5823 6.0870 6.0870 7.1351 7.1351 7.3443 7.3443 10.4781 10.4781 11.6000 11.6000 12.4398 12.4398 12.6802 12.6802 k = 0.4706-0.7894-0.4789 ( 2719 PWs) bands (ev): -31.6456 -31.6456 -31.6213 -31.6213 -13.0976 -13.0976 -13.0650 -13.0650 -12.7102 -12.7102 -12.6616 -12.6616 -12.5942 -12.5942 -12.4801 -12.4801 -8.4570 -8.4570 -3.1152 -3.1152 2.0051 2.0051 2.8189 2.8189 3.5797 3.5797 6.0785 6.0785 7.1397 7.1397 7.3442 7.3442 10.4743 10.4743 11.5939 11.5939 12.4438 12.4438 12.6978 12.6978 k = 0.4804-0.8059-0.4888 ( 2716 PWs) bands (ev): -31.6453 -31.6453 -31.6214 -31.6214 -13.0974 -13.0974 -13.0663 -13.0663 -12.7100 -12.7100 -12.6619 -12.6619 -12.5949 -12.5949 -12.4804 -12.4804 -8.4555 -8.4555 -3.1141 -3.1141 1.9974 1.9974 2.8218 2.8218 3.5778 3.5778 6.0724 6.0724 7.1430 7.1430 7.3440 7.3440 10.4716 10.4716 11.5895 11.5895 12.4468 12.4468 12.7109 12.7109 k = 0.4902-0.8223-0.4988 ( 2712 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0974 -13.0974 -13.0672 -13.0672 -12.7098 -12.7098 -12.6621 -12.6621 -12.5953 -12.5953 -12.4805 -12.4805 -8.4546 -8.4546 -3.1134 -3.1134 1.9928 1.9928 2.8235 2.8235 3.5766 3.5766 6.0687 6.0687 7.1450 7.1450 7.3440 7.3440 10.4700 10.4700 11.5869 11.5869 12.4487 12.4487 12.7190 12.7190 k = 0.5000-0.8388-0.5088 ( 2710 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0974 -13.0974 -13.0675 -13.0675 -12.7098 -12.7098 -12.6621 -12.6621 -12.5954 -12.5954 -12.4805 -12.4805 -8.4543 -8.4543 -3.1132 -3.1132 1.9912 1.9912 2.8241 2.8241 3.5763 3.5763 6.0674 6.0674 7.1457 7.1457 7.3440 7.3440 10.4695 10.4695 11.5860 11.5860 12.4493 12.4493 12.7217 12.7217 k = 0.5000-0.8388-0.5088 ( 2710 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0974 -13.0974 -13.0675 -13.0675 -12.7098 -12.7098 -12.6621 -12.6621 -12.5954 -12.5954 -12.4805 -12.4805 -8.4543 -8.4543 -3.1132 -3.1132 1.9912 1.9912 2.8241 2.8241 3.5763 3.5763 6.0674 6.0674 7.1457 7.1457 7.3440 7.3440 10.4695 10.4695 11.5860 11.5860 12.4493 12.4493 12.7217 12.7217 k = 0.5000-0.8276-0.5273 ( 2710 PWs) bands (ev): -31.6449 -31.6449 -31.6215 -31.6215 -13.0973 -13.0973 -13.0674 -13.0674 -12.7100 -12.7100 -12.6621 -12.6621 -12.5954 -12.5954 -12.4807 -12.4807 -8.4542 -8.4542 -3.1131 -3.1131 1.9919 1.9919 2.8242 2.8242 3.5740 3.5740 6.0685 6.0685 7.1460 7.1460 7.3429 7.3429 10.4715 10.4715 11.5892 11.5892 12.4484 12.4484 12.7202 12.7202 k = 0.5000-0.8163-0.5458 ( 2710 PWs) bands (ev): -31.6449 -31.6449 -31.6215 -31.6215 -13.0971 -13.0971 -13.0673 -13.0673 -12.7107 -12.7107 -12.6620 -12.6620 -12.5953 -12.5953 -12.4811 -12.4811 -8.4539 -8.4539 -3.1127 -3.1127 1.9939 1.9939 2.8243 2.8243 3.5671 3.5671 6.0718 6.0718 7.1467 7.1467 7.3398 7.3398 10.4776 10.4776 11.5987 11.5987 12.4454 12.4454 12.7159 12.7159 k = 0.5000-0.8051-0.5643 ( 2714 PWs) bands (ev): -31.6448 -31.6448 -31.6215 -31.6215 -13.0967 -13.0967 -13.0672 -13.0672 -12.7118 -12.7118 -12.6619 -12.6619 -12.5952 -12.5952 -12.4818 -12.4818 -8.4534 -8.4534 -3.1122 -3.1122 1.9972 1.9972 2.8246 2.8246 3.5558 3.5558 6.0773 6.0773 7.1481 7.1481 7.3346 7.3346 10.4877 10.4877 11.6143 11.6143 12.4399 12.4399 12.7097 12.7097 k = 0.5000-0.7939-0.5828 ( 2706 PWs) bands (ev): -31.6446 -31.6446 -31.6216 -31.6216 -13.0962 -13.0962 -13.0669 -13.0669 -12.7133 -12.7133 -12.6616 -12.6616 -12.5950 -12.5950 -12.4827 -12.4827 -8.4527 -8.4527 -3.1114 -3.1114 2.0018 2.0018 2.8250 2.8250 3.5402 3.5402 6.0850 6.0850 7.1499 7.1499 7.3274 7.3274 10.5019 10.5019 11.6358 11.6358 12.4313 12.4313 12.7029 12.7029 k = 0.5000-0.7826-0.6013 ( 2716 PWs) bands (ev): -31.6444 -31.6444 -31.6217 -31.6217 -13.0956 -13.0956 -13.0666 -13.0666 -12.7153 -12.7153 -12.6612 -12.6612 -12.5948 -12.5948 -12.4839 -12.4839 -8.4518 -8.4518 -3.1104 -3.1104 2.0077 2.0077 2.8255 2.8255 3.5203 3.5203 6.0947 6.0947 7.1521 7.1521 7.3181 7.3181 10.5200 10.5200 11.6628 11.6628 12.4185 12.4185 12.6972 12.6972 k = 0.5000-0.7714-0.6198 ( 2716 PWs) bands (ev): -31.6441 -31.6441 -31.6217 -31.6217 -13.0948 -13.0948 -13.0663 -13.0663 -12.7177 -12.7177 -12.6607 -12.6607 -12.5947 -12.5947 -12.4854 -12.4854 -8.4507 -8.4507 -3.1093 -3.1093 2.0150 2.0150 2.8261 2.8261 3.4965 3.4965 6.1065 6.1065 7.1549 7.1549 7.3069 7.3069 10.5420 10.5420 11.6946 11.6946 12.4011 12.4011 12.6943 12.6943 k = 0.5000-0.7602-0.6383 ( 2716 PWs) bands (ev): -31.6438 -31.6438 -31.6218 -31.6218 -13.0939 -13.0939 -13.0658 -13.0658 -12.7204 -12.7204 -12.6600 -12.6600 -12.5945 -12.5945 -12.4870 -12.4870 -8.4495 -8.4495 -3.1079 -3.1079 2.0235 2.0235 2.8269 2.8269 3.4689 3.4689 6.1203 6.1203 7.1580 7.1580 7.2938 7.2938 10.5678 10.5678 11.7307 11.7307 12.3787 12.3787 12.6952 12.6952 k = 0.5000-0.7490-0.6569 ( 2716 PWs) bands (ev): -31.6435 -31.6435 -31.6219 -31.6219 -13.0929 -13.0929 -13.0654 -13.0654 -12.7236 -12.7236 -12.6592 -12.6592 -12.5945 -12.5945 -12.4888 -12.4888 -8.4481 -8.4481 -3.1064 -3.1064 2.0333 2.0333 2.8277 2.8277 3.4379 3.4379 6.1361 6.1361 7.1615 7.1615 7.2788 7.2788 10.5974 10.5974 11.7702 11.7702 12.3519 12.3519 12.7008 12.7008 k = 0.5000-0.7377-0.6754 ( 2714 PWs) bands (ev): -31.6431 -31.6431 -31.6221 -31.6221 -13.0918 -13.0918 -13.0648 -13.0648 -12.7270 -12.7270 -12.6582 -12.6582 -12.5944 -12.5944 -12.4908 -12.4908 -8.4465 -8.4465 -3.1048 -3.1048 2.0445 2.0445 2.8287 2.8287 3.4037 3.4037 6.1536 6.1536 7.1654 7.1654 7.2620 7.2620 10.6306 10.6306 11.8117 11.8117 12.3215 12.3215 12.7114 12.7114 k = 0.5000-0.7265-0.6939 ( 2716 PWs) bands (ev): -31.6427 -31.6427 -31.6222 -31.6222 -13.0907 -13.0907 -13.0643 -13.0643 -12.7308 -12.7308 -12.6570 -12.6570 -12.5945 -12.5945 -12.4929 -12.4929 -8.4448 -8.4448 -3.1030 -3.1030 2.0569 2.0569 2.8297 2.8297 3.3667 3.3667 6.1730 6.1730 7.1695 7.1695 7.2435 7.2435 10.6673 10.6673 11.8538 11.8538 12.2893 12.2893 12.7270 12.7270 k = 0.5000-0.7153-0.7124 ( 2716 PWs) bands (ev): -31.6422 -31.6422 -31.6224 -31.6224 -13.0894 -13.0894 -13.0637 -13.0637 -12.7348 -12.7348 -12.6557 -12.6557 -12.5947 -12.5947 -12.4951 -12.4951 -8.4430 -8.4430 -3.1011 -3.1011 2.0706 2.0706 2.8309 2.8309 3.3272 3.3272 6.1939 6.1939 7.1738 7.1738 7.2234 7.2234 10.7074 10.7074 11.8940 11.8940 12.2576 12.2576 12.7417 12.7417 k = 0.5000-0.7041-0.7309 ( 2714 PWs) bands (ev): -31.6417 -31.6417 -31.6226 -31.6226 -13.0881 -13.0881 -13.0631 -13.0631 -12.7389 -12.7389 -12.6543 -12.6543 -12.5950 -12.5950 -12.4973 -12.4973 -8.4412 -8.4412 -3.0991 -3.0991 2.0855 2.0855 2.8322 2.8322 3.2855 3.2855 6.2164 6.2164 7.1780 7.1780 7.2021 7.2021 10.7507 10.7507 11.9286 11.9286 12.2299 12.2299 12.6753 12.6753 k = 0.5000-0.6928-0.7494 ( 2710 PWs) bands (ev): -31.6412 -31.6412 -31.6228 -31.6228 -13.0868 -13.0868 -13.0625 -13.0625 -12.7432 -12.7432 -12.6527 -12.6527 -12.5954 -12.5954 -12.4996 -12.4996 -8.4392 -8.4392 -3.0971 -3.0971 2.1017 2.1017 2.8335 2.8335 3.2419 3.2419 6.2403 6.2403 7.1758 7.1758 7.1861 7.1861 10.7972 10.7972 11.9519 11.9519 12.2116 12.2116 12.6049 12.6049 k = 0.5000-0.6816-0.7679 ( 2712 PWs) bands (ev): -31.6406 -31.6406 -31.6230 -31.6230 -13.0854 -13.0854 -13.0620 -13.0620 -12.7476 -12.7476 -12.6511 -12.6511 -12.5959 -12.5959 -12.5019 -12.5019 -8.4372 -8.4372 -3.0950 -3.0950 2.1192 2.1192 2.8349 2.8349 3.1969 3.1969 6.2655 6.2655 7.1531 7.1531 7.1892 7.1892 10.8465 10.8465 11.9574 11.9574 12.2087 12.2087 12.5355 12.5355 k = 0.5000-0.6704-0.7864 ( 2714 PWs) bands (ev): -31.6401 -31.6401 -31.6233 -31.6233 -13.0841 -13.0841 -13.0614 -13.0614 -12.7521 -12.7521 -12.6494 -12.6494 -12.5966 -12.5966 -12.5042 -12.5042 -8.4351 -8.4351 -3.0929 -3.0929 2.1378 2.1378 2.8362 2.8362 3.1508 3.1508 6.2919 6.2919 7.1276 7.1276 7.1941 7.1941 10.8984 10.8984 11.9438 11.9438 12.2223 12.2223 12.4675 12.4675 k = 0.5000-0.6591-0.8049 ( 2710 PWs) bands (ev): -31.6394 -31.6394 -31.6235 -31.6235 -13.0828 -13.0828 -13.0608 -13.0608 -12.7564 -12.7564 -12.6476 -12.6476 -12.5973 -12.5973 -12.5063 -12.5063 -8.4331 -8.4331 -3.0908 -3.0908 2.1577 2.1577 2.8375 2.8375 3.1039 3.1039 6.3193 6.3193 7.1009 7.1009 7.1993 7.1993 10.9528 10.9528 11.9159 11.9159 12.2471 12.2471 12.4013 12.4013 k = 0.5000-0.6479-0.8234 ( 2712 PWs) bands (ev): -31.6388 -31.6388 -31.6238 -31.6238 -13.0815 -13.0815 -13.0604 -13.0604 -12.7608 -12.7608 -12.6459 -12.6459 -12.5981 -12.5981 -12.5084 -12.5084 -8.4311 -8.4311 -3.0887 -3.0887 2.1787 2.1787 2.8386 2.8386 3.0568 3.0568 6.3476 6.3476 7.0731 7.0731 7.2046 7.2046 11.0092 11.0092 11.8797 11.8797 12.2770 12.2770 12.3372 12.3372 k = 0.5000-0.6367-0.8420 ( 2718 PWs) bands (ev): -31.6381 -31.6381 -31.6242 -31.6242 -13.0803 -13.0803 -13.0599 -13.0599 -12.7650 -12.7650 -12.6441 -12.6441 -12.5989 -12.5989 -12.5105 -12.5105 -8.4291 -8.4291 -3.0867 -3.0867 2.2010 2.2010 2.8392 2.8392 3.0099 3.0099 6.3767 6.3767 7.0445 7.0445 7.2099 7.2099 11.0672 11.0672 11.8388 11.8388 12.2754 12.2754 12.3085 12.3085 k = 0.5000-0.6255-0.8605 ( 2716 PWs) bands (ev): -31.6374 -31.6374 -31.6245 -31.6245 -13.0792 -13.0792 -13.0596 -13.0596 -12.7690 -12.7690 -12.6424 -12.6424 -12.5998 -12.5998 -12.5123 -12.5123 -8.4271 -8.4271 -3.0848 -3.0848 2.2243 2.2243 2.8386 2.8386 2.9643 2.9643 6.4063 6.4063 7.0152 7.0152 7.2153 7.2153 11.1264 11.1264 11.7954 11.7954 12.2166 12.2167 12.3390 12.3390 k = 0.5000-0.6142-0.8790 ( 2712 PWs) bands (ev): -31.6367 -31.6367 -31.6249 -31.6249 -13.0781 -13.0781 -13.0593 -13.0593 -12.7727 -12.7727 -12.6408 -12.6408 -12.6005 -12.6005 -12.5139 -12.5139 -8.4253 -8.4253 -3.0830 -3.0830 2.2487 2.2487 2.8350 2.8350 2.9219 2.9219 6.4365 6.4365 6.9854 6.9854 7.2206 7.2206 11.1861 11.1861 11.7506 11.7506 12.1615 12.1615 12.3681 12.3681 k = 0.5000-0.6030-0.8975 ( 2714 PWs) bands (ev): -31.6360 -31.6360 -31.6253 -31.6253 -13.0772 -13.0772 -13.0591 -13.0591 -12.7763 -12.7763 -12.6394 -12.6394 -12.6012 -12.6012 -12.5154 -12.5154 -8.4236 -8.4236 -3.0813 -3.0813 2.2743 2.2743 2.8229 2.8229 2.8887 2.8887 6.4671 6.4671 6.9552 6.9552 7.2259 7.2259 11.2451 11.2451 11.7049 11.7049 12.1108 12.1108 12.3953 12.3953 k = 0.5000-0.5918-0.9160 ( 2720 PWs) bands (ev): -31.6353 -31.6353 -31.6258 -31.6258 -13.0764 -13.0764 -13.0591 -13.0591 -12.7795 -12.7795 -12.6381 -12.6381 -12.6018 -12.6018 -12.5168 -12.5168 -8.4220 -8.4220 -3.0798 -3.0798 2.3008 2.3008 2.7949 2.7949 2.8720 2.8720 6.4978 6.4978 6.9247 6.9247 7.2311 7.2311 11.3021 11.3021 11.6587 11.6587 12.0660 12.0660 12.4205 12.4205 k = 0.5000-0.5806-0.9345 ( 2718 PWs) bands (ev): -31.6345 -31.6345 -31.6263 -31.6263 -13.0756 -13.0756 -13.0591 -13.0591 -12.7823 -12.7823 -12.6371 -12.6371 -12.6021 -12.6021 -12.5179 -12.5179 -8.4206 -8.4206 -3.0784 -3.0784 2.3282 2.3282 2.7568 2.7568 2.8666 2.8666 6.5287 6.5287 6.8942 6.8942 7.2362 7.2362 11.3551 11.3551 11.6122 11.6122 12.0290 12.0290 12.4437 12.4437 k = 0.5000-0.5693-0.9530 ( 2712 PWs) bands (ev): -31.6338 -31.6338 -31.6268 -31.6268 -13.0749 -13.0749 -13.0592 -13.0592 -12.7848 -12.7848 -12.6363 -12.6363 -12.6022 -12.6022 -12.5188 -12.5188 -8.4193 -8.4193 -3.0771 -3.0771 2.3566 2.3566 2.7159 2.7159 2.8651 2.8651 6.5595 6.5595 6.8639 6.8639 7.2411 7.2411 11.4012 11.4012 11.5653 11.5653 12.0025 12.0025 12.4651 12.4651 k = 0.5000-0.5581-0.9715 ( 2712 PWs) bands (ev): -31.6330 -31.6330 -31.6274 -31.6274 -13.0744 -13.0744 -13.0595 -13.0595 -12.7869 -12.7869 -12.6358 -12.6358 -12.6020 -12.6020 -12.5195 -12.5195 -8.4183 -8.4183 -3.0761 -3.0761 2.3856 2.3856 2.6752 2.6752 2.8650 2.8650 6.5902 6.5902 6.8338 6.8338 7.2459 7.2459 11.4369 11.4369 11.5183 11.5183 11.9900 11.9900 12.4848 12.4848 k = 0.5000-0.5469-0.9900 ( 2708 PWs) bands (ev): -31.6322 -31.6322 -31.6280 -31.6280 -13.0740 -13.0740 -13.0599 -13.0599 -12.7885 -12.7885 -12.6356 -12.6356 -12.6016 -12.6016 -12.5200 -12.5200 -8.4175 -8.4175 -3.0753 -3.0753 2.4151 2.4151 2.6360 2.6360 2.8653 2.8653 6.6206 6.6206 6.8042 6.8042 7.2503 7.2503 11.4586 11.4586 11.4714 11.4714 11.9947 11.9947 12.5030 12.5030 k = 0.5000-0.5356-1.0085 ( 2706 PWs) bands (ev): -31.6315 -31.6315 -31.6286 -31.6286 -13.0738 -13.0738 -13.0604 -13.0604 -12.7897 -12.7897 -12.6356 -12.6356 -12.6009 -12.6009 -12.5202 -12.5202 -8.4169 -8.4169 -3.0748 -3.0748 2.4442 2.4442 2.5995 2.5995 2.8656 2.8656 6.6507 6.6507 6.7753 6.7753 7.2545 7.2545 11.4236 11.4236 11.4660 11.4660 12.0176 12.0176 12.5199 12.5199 k = 0.5000-0.5244-1.0271 ( 2704 PWs) bands (ev): -31.6307 -31.6307 -31.6293 -31.6293 -13.0736 -13.0736 -13.0610 -13.0610 -12.7905 -12.7905 -12.6358 -12.6358 -12.5999 -12.5999 -12.5203 -12.5203 -8.4167 -8.4167 -3.0744 -3.0744 2.4706 2.4706 2.5684 2.5684 2.8659 2.8659 6.6803 6.6803 6.7471 6.7471 7.2583 7.2583 11.3761 11.3761 11.4596 11.4596 12.0570 12.0570 12.5355 12.5355 k = 0.5000-0.5132-1.0456 ( 2702 PWs) bands (ev): -31.6300 -31.6300 -31.6300 -31.6300 -13.0736 -13.0736 -13.0616 -13.0616 -12.7909 -12.7909 -12.6362 -12.6362 -12.5988 -12.5988 -12.5201 -12.5201 -8.4167 -8.4167 -3.0743 -3.0743 2.4840 2.4840 2.5531 2.5531 2.8659 2.8659 6.7092 6.7092 6.7202 6.7202 7.2617 7.2617 11.3284 11.3284 11.4432 11.4432 12.1093 12.1093 12.5502 12.5502 k = 0.5000-0.5020-1.0641 ( 2702 PWs) bands (ev): -31.6308 -31.6308 -31.6293 -31.6293 -13.0738 -13.0738 -13.0622 -13.0622 -12.7908 -12.7908 -12.6367 -12.6367 -12.5976 -12.5976 -12.5197 -12.5197 -8.4171 -8.4171 -3.0745 -3.0745 2.4710 2.4710 2.5670 2.5670 2.8656 2.8656 6.6938 6.6938 6.7380 6.7380 7.2646 7.2646 11.2808 11.2808 11.4204 11.4204 12.1708 12.1708 12.5639 12.5639 k = 0.5000-0.4907-1.0826 ( 2700 PWs) bands (ev): -31.6316 -31.6316 -31.6285 -31.6285 -13.0741 -13.0741 -13.0626 -13.0626 -12.7903 -12.7903 -12.6372 -12.6372 -12.5962 -12.5962 -12.5191 -12.5191 -8.4178 -8.4178 -3.0750 -3.0750 2.4464 2.4464 2.5956 2.5956 2.8649 2.8649 6.6691 6.6691 6.7658 6.7658 7.2670 7.2670 11.2331 11.2331 11.3939 11.3939 12.2386 12.2386 12.5768 12.5768 k = 0.5000-0.4795-1.1011 ( 2700 PWs) bands (ev): -31.6324 -31.6324 -31.6278 -31.6278 -13.0747 -13.0747 -13.0630 -13.0630 -12.7895 -12.7895 -12.6379 -12.6379 -12.5948 -12.5948 -12.5183 -12.5183 -8.4188 -8.4188 -3.0757 -3.0757 2.4206 2.4206 2.6283 2.6283 2.8639 2.8639 6.6458 6.6458 6.7929 6.7929 7.2688 7.2688 11.1857 11.1857 11.3656 11.3656 12.3104 12.3104 12.5889 12.5889 k = 0.8160-0.3925-0.9340 ( 2700 PWs) bands (ev): -31.6324 -31.6324 -31.6278 -31.6278 -13.0747 -13.0747 -13.0630 -13.0630 -12.7895 -12.7895 -12.6379 -12.6379 -12.5948 -12.5948 -12.5183 -12.5183 -8.4188 -8.4188 -3.0757 -3.0757 2.4206 2.4206 2.6283 2.6283 2.8639 2.8639 6.6458 6.6458 6.7929 6.7929 7.2688 7.2688 11.1857 11.1857 11.3656 11.3656 12.3104 12.3104 12.5889 12.5889 k = 0.8103-0.3828-0.9155 ( 2708 PWs) bands (ev): -31.6333 -31.6333 -31.6271 -31.6271 -13.0755 -13.0755 -13.0632 -13.0632 -12.7883 -12.7883 -12.6385 -12.6385 -12.5933 -12.5933 -12.5174 -12.5174 -8.4202 -8.4202 -3.0768 -3.0768 2.3963 2.3963 2.6625 2.6625 2.8625 2.8625 6.6241 6.6241 6.8193 6.8193 7.2700 7.2700 11.1385 11.1385 11.3369 11.3369 12.3845 12.3845 12.6002 12.6002 k = 0.8045-0.3732-0.8970 ( 2708 PWs) bands (ev): -31.6343 -31.6343 -31.6265 -31.6265 -13.0765 -13.0765 -13.0632 -13.0632 -12.7867 -12.7867 -12.6391 -12.6391 -12.5917 -12.5917 -12.5162 -12.5162 -8.4220 -8.4220 -3.0781 -3.0781 2.3741 2.3741 2.6975 2.6975 2.8609 2.8609 6.6042 6.6042 6.8448 6.8448 7.2704 7.2704 11.0918 11.0918 11.3085 11.3085 12.4600 12.4600 12.6107 12.6107 k = 0.7988-0.3635-0.8785 ( 2708 PWs) bands (ev): -31.6352 -31.6352 -31.6258 -31.6258 -13.0776 -13.0776 -13.0629 -13.0629 -12.7848 -12.7848 -12.6396 -12.6396 -12.5901 -12.5901 -12.5148 -12.5148 -8.4241 -8.4241 -3.0798 -3.0798 2.3544 2.3544 2.7324 2.7324 2.8596 2.8596 6.5861 6.5861 6.8694 6.8694 7.2700 7.2700 11.0457 11.0457 11.2812 11.2812 12.5356 12.5356 12.6202 12.6202 k = 0.7931-0.3539-0.8600 ( 2710 PWs) bands (ev): -31.6362 -31.6362 -31.6252 -31.6252 -13.0788 -13.0788 -13.0624 -13.0624 -12.7826 -12.7826 -12.6402 -12.6402 -12.5884 -12.5884 -12.5134 -12.5134 -8.4267 -8.4267 -3.0817 -3.0817 2.3374 2.3374 2.7659 2.7659 2.8595 2.8595 6.5699 6.5699 6.8932 6.8932 7.2688 7.2688 11.0006 11.0006 11.2553 11.2553 12.6103 12.6103 12.6288 12.6288 k = 0.7873-0.3443-0.8415 ( 2708 PWs) bands (ev): -31.6373 -31.6373 -31.6246 -31.6246 -13.0802 -13.0802 -13.0616 -13.0616 -12.7802 -12.7802 -12.6406 -12.6406 -12.5866 -12.5866 -12.5117 -12.5117 -8.4297 -8.4297 -3.0840 -3.0840 2.3233 2.3233 2.7946 2.7946 2.8640 2.8640 6.5558 6.5558 6.9160 6.9160 7.2666 7.2666 10.9565 10.9565 11.2312 11.2312 12.6350 12.6350 12.6843 12.6843 k = 0.7816-0.3346-0.8230 ( 2710 PWs) bands (ev): -31.6384 -31.6384 -31.6240 -31.6240 -13.0815 -13.0815 -13.0606 -13.0606 -12.7775 -12.7775 -12.6411 -12.6411 -12.5848 -12.5848 -12.5100 -12.5100 -8.4330 -8.4330 -3.0866 -3.0866 2.3121 2.3121 2.8117 2.8117 2.8798 2.8798 6.5439 6.5439 6.9378 6.9378 7.2636 7.2636 10.9137 10.9137 11.2091 11.2091 12.6402 12.6402 12.7549 12.7549 k = 0.7758-0.3250-0.8045 ( 2710 PWs) bands (ev): -31.6395 -31.6395 -31.6234 -31.6234 -13.0829 -13.0829 -13.0594 -13.0594 -12.7747 -12.7747 -12.6415 -12.6415 -12.5828 -12.5828 -12.5082 -12.5082 -8.4368 -8.4368 -3.0895 -3.0895 2.3038 2.3038 2.8159 2.8159 2.9081 2.9081 6.5341 6.5341 6.9586 6.9586 7.2595 7.2595 10.8725 10.8725 11.1891 11.1891 12.6432 12.6432 12.8216 12.8216 k = 0.7701-0.3153-0.7860 ( 2710 PWs) bands (ev): -31.6407 -31.6407 -31.6229 -31.6229 -13.0842 -13.0842 -13.0579 -13.0579 -12.7717 -12.7717 -12.6418 -12.6418 -12.5808 -12.5808 -12.5063 -12.5063 -8.4409 -8.4409 -3.0927 -3.0927 2.2987 2.2987 2.8134 2.8134 2.9426 2.9426 6.5266 6.5266 6.9781 6.9781 7.2545 7.2545 10.8330 10.8330 11.1715 11.1715 12.6437 12.6437 12.8826 12.8826 k = 0.7643-0.3057-0.7675 ( 2712 PWs) bands (ev): -31.6420 -31.6420 -31.6224 -31.6224 -13.0855 -13.0855 -13.0561 -13.0561 -12.7685 -12.7685 -12.6421 -12.6421 -12.5786 -12.5786 -12.5044 -12.5044 -8.4455 -8.4455 -3.0963 -3.0963 2.2966 2.2966 2.8079 2.8079 2.9795 2.9795 6.5213 6.5213 6.9964 6.9964 7.2486 7.2486 10.7956 10.7956 11.1563 11.1563 12.6416 12.6416 12.9356 12.9356 k = 0.7586-0.2961-0.7490 ( 2710 PWs) bands (ev): -31.6432 -31.6432 -31.6219 -31.6219 -13.0867 -13.0867 -13.0541 -13.0541 -12.7652 -12.7652 -12.6423 -12.6423 -12.5764 -12.5764 -12.5024 -12.5024 -8.4505 -8.4505 -3.1003 -3.1003 2.2976 2.2976 2.8008 2.8008 3.0174 3.0174 6.5184 6.5184 7.0132 7.0132 7.2420 7.2420 10.7605 10.7605 11.1436 11.1436 12.6364 12.6364 12.9776 12.9776 k = 0.7528-0.2864-0.7305 ( 2714 PWs) bands (ev): -31.6445 -31.6445 -31.6215 -31.6215 -13.0878 -13.0878 -13.0518 -13.0518 -12.7618 -12.7618 -12.6424 -12.6424 -12.5740 -12.5740 -12.5004 -12.5004 -8.4558 -8.4558 -3.1045 -3.1045 2.3017 2.3017 2.7925 2.7925 3.0559 3.0559 6.5177 6.5177 7.0282 7.0282 7.2347 7.2347 10.7278 10.7278 11.1335 11.1335 12.6280 12.6280 13.0055 13.0055 k = 0.7471-0.2768-0.7120 ( 2712 PWs) bands (ev): -31.6458 -31.6458 -31.6211 -31.6211 -13.0889 -13.0889 -13.0492 -13.0492 -12.7584 -12.7584 -12.6425 -12.6425 -12.5715 -12.5715 -12.4984 -12.4984 -8.4615 -8.4615 -3.1091 -3.1091 2.3089 2.3089 2.7834 2.7834 3.0945 3.0945 6.5193 6.5193 7.0411 7.0411 7.2272 7.2272 10.6979 10.6979 11.1260 11.1260 12.6163 12.6163 13.0179 13.0179 k = 0.7413-0.2671-0.6935 ( 2712 PWs) bands (ev): -31.6472 -31.6472 -31.6207 -31.6207 -13.0898 -13.0898 -13.0463 -13.0463 -12.7549 -12.7549 -12.6424 -12.6424 -12.5689 -12.5689 -12.4964 -12.4964 -8.4676 -8.4676 -3.1141 -3.1141 2.3192 2.3192 2.7735 2.7735 3.1332 3.1332 6.5232 6.5232 7.0511 7.0511 7.2201 7.2201 10.6708 10.6708 11.1213 11.1213 12.6012 12.6012 13.0160 13.0160 k = 0.7356-0.2575-0.6750 ( 2718 PWs) bands (ev): -31.6486 -31.6486 -31.6204 -31.6204 -13.0907 -13.0907 -13.0432 -13.0432 -12.7514 -12.7514 -12.6422 -12.6422 -12.5662 -12.5662 -12.4944 -12.4944 -8.4741 -8.4741 -3.1194 -3.1194 2.3326 2.3326 2.7631 2.7631 3.1717 3.1717 6.5292 6.5292 7.0576 7.0576 7.2140 7.2140 10.6469 10.6469 11.1194 11.1194 12.5828 12.5828 13.0033 13.0033 k = 0.7298-0.2479-0.6565 ( 2716 PWs) bands (ev): -31.6500 -31.6500 -31.6201 -31.6201 -13.0914 -13.0914 -13.0397 -13.0397 -12.7478 -12.7478 -12.6419 -12.6419 -12.5634 -12.5634 -12.4924 -12.4924 -8.4809 -8.4809 -3.1250 -3.1250 2.3491 2.3491 2.7523 2.7523 3.2100 3.2100 6.5374 6.5374 7.0595 7.0595 7.2099 7.2099 10.6262 10.6262 11.1202 11.1202 12.5613 12.5613 12.9834 12.9834 k = 0.7241-0.2382-0.6380 ( 2714 PWs) bands (ev): -31.6515 -31.6515 -31.6198 -31.6198 -13.0921 -13.0921 -13.0360 -13.0360 -12.7443 -12.7443 -12.6414 -12.6414 -12.5604 -12.5604 -12.4905 -12.4905 -8.4880 -8.4880 -3.1310 -3.1310 2.3685 2.3685 2.7411 2.7411 3.2479 3.2479 6.5476 6.5476 7.0561 7.0561 7.2086 7.2086 10.6089 10.6089 11.1239 11.1239 12.5370 12.5370 12.9592 12.9592 k = 0.7184-0.2286-0.6195 ( 2716 PWs) bands (ev): -31.6530 -31.6530 -31.6196 -31.6196 -13.0926 -13.0926 -13.0320 -13.0320 -12.7407 -12.7407 -12.6408 -12.6408 -12.5574 -12.5574 -12.4886 -12.4886 -8.4954 -8.4954 -3.1373 -3.1373 2.3909 2.3909 2.7296 2.7296 3.2855 3.2855 6.5599 6.5599 7.0473 7.0473 7.2101 7.2101 10.5952 10.5952 11.1304 11.1304 12.5102 12.5102 12.9325 12.9325 k = 0.7126-0.2189-0.6010 ( 2722 PWs) bands (ev): -31.6545 -31.6545 -31.6194 -31.6194 -13.0932 -13.0932 -13.0277 -13.0277 -12.7372 -12.7372 -12.6401 -12.6401 -12.5543 -12.5543 -12.4867 -12.4867 -8.5032 -8.5032 -3.1440 -3.1440 2.4161 2.4161 2.7180 2.7180 3.3225 3.3225 6.5739 6.5739 7.0334 7.0334 7.2140 7.2140 10.5850 10.5850 11.1397 11.1397 12.4813 12.4813 12.9045 12.9045 k = 0.7069-0.2093-0.5825 ( 2724 PWs) bands (ev): -31.6560 -31.6560 -31.6192 -31.6192 -13.0936 -13.0936 -13.0232 -13.0232 -12.7338 -12.7338 -12.6391 -12.6391 -12.5511 -12.5511 -12.4849 -12.4849 -8.5111 -8.5111 -3.1510 -3.1510 2.4441 2.4441 2.7065 2.7065 3.3590 3.3590 6.5898 6.5898 7.0153 7.0153 7.2197 7.2197 10.5786 10.5786 11.1518 11.1518 12.4507 12.4507 12.8761 12.8761 k = 0.7011-0.1997-0.5640 ( 2722 PWs) bands (ev): -31.6575 -31.6575 -31.6191 -31.6191 -13.0940 -13.0940 -13.0184 -13.0184 -12.7303 -12.7303 -12.6379 -12.6379 -12.5478 -12.5478 -12.4832 -12.4832 -8.5193 -8.5193 -3.1583 -3.1583 2.4746 2.4746 2.6952 2.6952 3.3949 3.3949 6.6073 6.6073 6.9935 6.9935 7.2264 7.2264 10.5759 10.5759 11.1667 11.1667 12.4191 12.4191 12.8477 12.8477 k = 0.6954-0.1900-0.5455 ( 2722 PWs) bands (ev): -31.6591 -31.6591 -31.6190 -31.6190 -13.0943 -13.0943 -13.0134 -13.0134 -12.7269 -12.7269 -12.6365 -12.6365 -12.5445 -12.5445 -12.4815 -12.4815 -8.5278 -8.5278 -3.1660 -3.1660 2.5074 2.5074 2.6844 2.6844 3.4301 3.4301 6.6263 6.6263 6.9688 6.9688 7.2337 7.2337 10.5768 10.5768 11.1843 11.1843 12.3866 12.3867 12.8197 12.8197 k = 0.6896-0.1804-0.5270 ( 2720 PWs) bands (ev): -31.6607 -31.6607 -31.6189 -31.6189 -13.0946 -13.0946 -13.0081 -13.0081 -12.7236 -12.7236 -12.6349 -12.6349 -12.5411 -12.5411 -12.4798 -12.4798 -8.5364 -8.5364 -3.1740 -3.1740 2.5418 2.5418 2.6748 2.6748 3.4645 3.4645 6.6468 6.6468 6.9416 6.9416 7.2410 7.2410 10.5816 10.5816 11.2047 11.2047 12.3540 12.3540 12.7924 12.7924 k = 0.6839-0.1707-0.5085 ( 2726 PWs) bands (ev): -31.6622 -31.6622 -31.6189 -31.6189 -13.0948 -13.0948 -13.0027 -13.0027 -12.7204 -12.7204 -12.6331 -12.6331 -12.5377 -12.5377 -12.4783 -12.4783 -8.5452 -8.5452 -3.1822 -3.1822 2.5760 2.5760 2.6681 2.6681 3.4981 3.4981 6.6684 6.6684 6.9123 6.9123 7.2482 7.2482 10.5899 10.5899 11.2278 11.2278 12.3214 12.3214 12.7660 12.7660 k = 0.6781-0.1611-0.4900 ( 2728 PWs) bands (ev): -31.6638 -31.6638 -31.6189 -31.6189 -13.0951 -13.0951 -12.9971 -12.9971 -12.7172 -12.7172 -12.6311 -12.6311 -12.5342 -12.5342 -12.4767 -12.4767 -8.5541 -8.5541 -3.1908 -3.1908 2.6038 2.6038 2.6706 2.6706 3.5308 3.5308 6.6912 6.6912 6.8811 6.8811 7.2550 7.2550 10.6018 10.6018 11.2535 11.2535 12.2893 12.2893 12.7407 12.7407 k = 0.6724-0.1515-0.4715 ( 2728 PWs) bands (ev): -31.6654 -31.6654 -31.6189 -31.6189 -13.0953 -13.0953 -12.9914 -12.9914 -12.7141 -12.7141 -12.6288 -12.6288 -12.5307 -12.5307 -12.4753 -12.4753 -8.5631 -8.5631 -3.1996 -3.1996 2.6139 2.6139 2.6934 2.6934 3.5626 3.5626 6.7150 6.7150 6.8482 6.8482 7.2614 7.2614 10.6173 10.6173 11.2817 11.2817 12.2581 12.2581 12.7165 12.7165 k = 0.6666-0.1418-0.4530 ( 2728 PWs) bands (ev): -31.6669 -31.6669 -31.6189 -31.6189 -13.0956 -13.0956 -12.9856 -12.9856 -12.7110 -12.7110 -12.6262 -12.6262 -12.5272 -12.5272 -12.4739 -12.4739 -8.5722 -8.5722 -3.2087 -3.2087 2.6109 2.6109 2.7320 2.7320 3.5935 3.5935 6.7395 6.7395 6.8141 6.8141 7.2672 7.2672 10.6361 10.6361 11.3124 11.3124 12.2281 12.2281 12.6936 12.6936 k = 0.6609-0.1322-0.4345 ( 2732 PWs) bands (ev): -31.6685 -31.6685 -31.6190 -31.6190 -13.0959 -13.0959 -12.9796 -12.9796 -12.7081 -12.7081 -12.6234 -12.6234 -12.5237 -12.5237 -12.4725 -12.4725 -8.5813 -8.5813 -3.2180 -3.2180 2.6038 2.6038 2.7771 2.7771 3.6234 3.6234 6.7643 6.7643 6.7792 6.7792 7.2723 7.2723 10.6580 10.6580 11.3454 11.3454 12.1994 12.1994 12.6720 12.6720 k = 0.6551-0.1225-0.4160 ( 2740 PWs) bands (ev): -31.6700 -31.6700 -31.6190 -31.6190 -13.0963 -13.0963 -12.9736 -12.9736 -12.7053 -12.7053 -12.6204 -12.6204 -12.5202 -12.5202 -12.4712 -12.4712 -8.5905 -8.5905 -3.2275 -3.2275 2.5956 2.5956 2.8258 2.8258 3.6523 3.6523 6.7419 6.7419 6.7909 6.7909 7.2768 7.2768 10.6829 10.6829 11.3807 11.3807 12.1724 12.1724 12.6518 12.6518 k = 0.6494-0.1129-0.3975 ( 2738 PWs) bands (ev): -31.6716 -31.6716 -31.6191 -31.6191 -13.0967 -13.0967 -12.9675 -12.9675 -12.7025 -12.7025 -12.6171 -12.6171 -12.5167 -12.5167 -12.4700 -12.4700 -8.5996 -8.5996 -3.2372 -3.2372 2.5873 2.5873 2.8769 2.8769 3.6802 3.6802 6.7048 6.7048 6.8169 6.8169 7.2807 7.2807 10.7106 10.7106 11.4181 11.4181 12.1472 12.1472 12.6329 12.6329 k = 0.6437-0.1033-0.3790 ( 2738 PWs) bands (ev): -31.6731 -31.6731 -31.6193 -31.6193 -13.0971 -13.0971 -12.9614 -12.9614 -12.6999 -12.6999 -12.6136 -12.6136 -12.5132 -12.5132 -12.4687 -12.4687 -8.6088 -8.6088 -3.2471 -3.2471 2.5792 2.5792 2.9299 2.9299 3.7070 3.7070 6.6669 6.6669 6.8433 6.8433 7.2838 7.2838 10.7407 10.7407 11.4574 11.4574 12.1238 12.1238 12.6155 12.6155 k = 0.6379-0.0936-0.3605 ( 2734 PWs) bands (ev): -31.6746 -31.6746 -31.6194 -31.6194 -13.0975 -13.0975 -12.9553 -12.9553 -12.6973 -12.6973 -12.6099 -12.6099 -12.5098 -12.5098 -12.4675 -12.4675 -8.6178 -8.6178 -3.2570 -3.2570 2.5715 2.5715 2.9845 2.9845 3.7328 3.7328 6.6286 6.6286 6.8698 6.8698 7.2863 7.2863 10.7730 10.7730 11.4987 11.4987 12.1025 12.1025 12.5995 12.5995 k = 0.6322-0.0840-0.3420 ( 2742 PWs) bands (ev): -31.6761 -31.6761 -31.6195 -31.6195 -13.0980 -13.0980 -12.9493 -12.9493 -12.6949 -12.6949 -12.6060 -12.6060 -12.5065 -12.5065 -12.4663 -12.4663 -8.6267 -8.6267 -3.2670 -3.2670 2.5642 2.5642 3.0405 3.0405 3.7575 3.7575 6.5901 6.5901 6.8962 6.8962 7.2881 7.2881 10.8071 10.8071 11.5416 11.5416 12.0831 12.0831 12.5847 12.5847 k = 0.6264-0.0743-0.3235 ( 2742 PWs) bands (ev): -31.6775 -31.6775 -31.6197 -31.6197 -13.0986 -13.0986 -12.9434 -12.9434 -12.6925 -12.6925 -12.6019 -12.6019 -12.5033 -12.5033 -12.4650 -12.4650 -8.6355 -8.6355 -3.2771 -3.2771 2.5575 2.5575 3.0975 3.0975 3.7811 3.7811 6.5514 6.5514 6.9223 6.9223 7.2892 7.2892 10.8425 10.8425 11.5861 11.5861 12.0657 12.0657 12.5714 12.5714 k = 0.6207-0.0647-0.3050 ( 2740 PWs) bands (ev): -31.6789 -31.6789 -31.6199 -31.6199 -13.0992 -13.0992 -12.9375 -12.9375 -12.6902 -12.6902 -12.5977 -12.5977 -12.5003 -12.5003 -12.4637 -12.4637 -8.6442 -8.6442 -3.2872 -3.2872 2.5513 2.5513 3.1554 3.1554 3.8036 3.8036 6.5129 6.5129 6.9482 6.9482 7.2897 7.2897 10.8788 10.8788 11.6319 11.6319 12.0503 12.0503 12.5593 12.5593 k = 0.6149-0.0551-0.2865 ( 2740 PWs) bands (ev): -31.6803 -31.6803 -31.6201 -31.6201 -13.0999 -13.0999 -12.9318 -12.9318 -12.6881 -12.6881 -12.5933 -12.5933 -12.4974 -12.4974 -12.4623 -12.4623 -8.6526 -8.6526 -3.2972 -3.2972 2.5457 2.5457 3.2139 3.2139 3.8250 3.8250 6.4746 6.4746 6.9735 6.9735 7.2897 7.2897 10.9155 10.9155 11.6788 11.6788 12.0369 12.0369 12.5485 12.5485 k = 0.6092-0.0454-0.2680 ( 2746 PWs) bands (ev): -31.6816 -31.6816 -31.6202 -31.6202 -13.1006 -13.1006 -12.9262 -12.9262 -12.6860 -12.6860 -12.5888 -12.5888 -12.4949 -12.4949 -12.4608 -12.4608 -8.6608 -8.6608 -3.3072 -3.3072 2.5406 2.5406 3.2726 3.2726 3.8454 3.8454 6.4367 6.4367 6.9983 6.9983 7.2891 7.2891 10.9518 10.9518 11.7266 11.7266 12.0254 12.0254 12.5389 12.5389 k = 0.6034-0.0358-0.2495 ( 2742 PWs) bands (ev): -31.6829 -31.6829 -31.6204 -31.6204 -13.1013 -13.1013 -12.9208 -12.9208 -12.6841 -12.6841 -12.5842 -12.5842 -12.4925 -12.4925 -12.4592 -12.4592 -8.6688 -8.6688 -3.3170 -3.3170 2.5361 2.5361 3.3314 3.3314 3.8647 3.8647 6.3995 6.3995 7.0223 7.0223 7.2880 7.2880 10.9870 10.9870 11.7750 11.7750 12.0159 12.0159 12.5306 12.5306 k = 0.5977-0.0262-0.2310 ( 2744 PWs) bands (ev): -31.6841 -31.6841 -31.6206 -31.6206 -13.1021 -13.1021 -12.9156 -12.9156 -12.6822 -12.6822 -12.5796 -12.5796 -12.4906 -12.4906 -12.4574 -12.4574 -8.6766 -8.6766 -3.3266 -3.3266 2.5321 2.5321 3.3899 3.3899 3.8830 3.8830 6.3630 6.3630 7.0455 7.0455 7.2864 7.2864 11.0202 11.0202 11.8237 11.8237 12.0086 12.0086 12.5233 12.5233 k = 0.5919-0.0165-0.2125 ( 2748 PWs) bands (ev): -31.6853 -31.6853 -31.6208 -31.6208 -13.1028 -13.1028 -12.9106 -12.9106 -12.6804 -12.6804 -12.5749 -12.5749 -12.4889 -12.4889 -12.4554 -12.4554 -8.6840 -8.6840 -3.3360 -3.3360 2.5286 2.5286 3.4478 3.4478 3.9002 3.9002 6.3274 6.3274 7.0678 7.0678 7.2845 7.2845 11.0506 11.0506 11.8724 11.8724 12.0037 12.0037 12.5171 12.5171 k = 0.5862-0.0069-0.1940 ( 2744 PWs) bands (ev): -31.6864 -31.6864 -31.6210 -31.6210 -13.1036 -13.1036 -12.9058 -12.9058 -12.6788 -12.6788 -12.5702 -12.5702 -12.4877 -12.4877 -12.4533 -12.4533 -8.6911 -8.6911 -3.3452 -3.3452 2.5256 2.5256 3.5048 3.5048 3.9164 3.9164 6.2929 6.2929 7.0891 7.0891 7.2823 7.2823 11.0772 11.0772 11.9205 11.9205 12.0016 12.0016 12.5116 12.5116 k = 0.5804 0.0028-0.1755 ( 2738 PWs) bands (ev): -31.6875 -31.6875 -31.6212 -31.6212 -13.1044 -13.1044 -12.9013 -12.9013 -12.6772 -12.6772 -12.5656 -12.5656 -12.4868 -12.4868 -12.4510 -12.4510 -8.6979 -8.6979 -3.3540 -3.3540 2.5230 2.5230 3.5605 3.5605 3.9317 3.9317 6.2596 6.2596 7.1092 7.1092 7.2798 7.2798 11.0990 11.0990 11.9674 11.9674 12.0029 12.0029 12.5056 12.5056 k = 0.5747 0.0124-0.1570 ( 2734 PWs) bands (ev): -31.6885 -31.6885 -31.6214 -31.6214 -13.1052 -13.1052 -12.8971 -12.8971 -12.6757 -12.6757 -12.5609 -12.5609 -12.4862 -12.4862 -12.4486 -12.4486 -8.7043 -8.7043 -3.3625 -3.3625 2.5209 2.5209 3.6146 3.6146 3.9459 3.9459 6.2277 6.2277 7.1282 7.1282 7.2771 7.2771 11.1154 11.1154 12.0077 12.0077 12.0129 12.0129 12.4961 12.4961 k = 0.5690 0.0220-0.1385 ( 2740 PWs) bands (ev): -31.6894 -31.6894 -31.6216 -31.6216 -13.1059 -13.1059 -12.8932 -12.8932 -12.6743 -12.6743 -12.5564 -12.5564 -12.4861 -12.4861 -12.4462 -12.4462 -8.7103 -8.7103 -3.3705 -3.3705 2.5191 2.5191 3.6666 3.6666 3.9593 3.9593 6.1973 6.1973 7.1459 7.1459 7.2742 7.2742 11.1257 11.1257 12.0172 12.0172 12.0551 12.0551 12.4787 12.4788 k = 0.5632 0.0317-0.1200 ( 2738 PWs) bands (ev): -31.6903 -31.6903 -31.6217 -31.6217 -13.1067 -13.1067 -12.8895 -12.8895 -12.6730 -12.6730 -12.5519 -12.5519 -12.4862 -12.4862 -12.4437 -12.4437 -8.7159 -8.7159 -3.3781 -3.3781 2.5176 2.5176 3.7162 3.7162 3.9719 3.9719 6.1685 6.1685 7.1624 7.1624 7.2714 7.2714 11.1302 11.1302 12.0307 12.0307 12.0939 12.0939 12.4529 12.4529 k = 0.5575 0.0413-0.1015 ( 2726 PWs) bands (ev): -31.6911 -31.6911 -31.6219 -31.6219 -13.1074 -13.1074 -12.8861 -12.8861 -12.6718 -12.6718 -12.5475 -12.5475 -12.4865 -12.4865 -12.4412 -12.4412 -8.7211 -8.7211 -3.3852 -3.3852 2.5164 2.5164 3.7629 3.7629 3.9836 3.9836 6.1416 6.1416 7.1775 7.1775 7.2685 7.2685 11.1291 11.1291 12.0482 12.0482 12.1282 12.1282 12.4230 12.4230 k = 0.5517 0.0510-0.0830 ( 2726 PWs) bands (ev): -31.6919 -31.6919 -31.6221 -31.6221 -13.1081 -13.1081 -12.8830 -12.8830 -12.6707 -12.6707 -12.5432 -12.5432 -12.4872 -12.4872 -12.4388 -12.4388 -8.7258 -8.7258 -3.3917 -3.3917 2.5154 2.5154 3.8062 3.8062 3.9948 3.9948 6.1166 6.1166 7.1912 7.1912 7.2657 7.2657 11.1233 11.1233 12.0690 12.0690 12.1573 12.1573 12.3931 12.3931 k = 0.5460 0.0606-0.0645 ( 2724 PWs) bands (ev): -31.6925 -31.6925 -31.6222 -31.6222 -13.1087 -13.1087 -12.8803 -12.8803 -12.6697 -12.6697 -12.5391 -12.5391 -12.4880 -12.4880 -12.4366 -12.4366 -8.7301 -8.7301 -3.3977 -3.3977 2.5147 2.5147 3.8456 3.8456 4.0054 4.0054 6.0938 6.0938 7.2036 7.2036 7.2630 7.2630 11.1138 11.1138 12.0922 12.0922 12.1809 12.1809 12.3651 12.3651 k = 0.5402 0.0702-0.0460 ( 2722 PWs) bands (ev): -31.6931 -31.6931 -31.6223 -31.6223 -13.1093 -13.1093 -12.8779 -12.8779 -12.6688 -12.6688 -12.5352 -12.5352 -12.4891 -12.4891 -12.4346 -12.4346 -8.7339 -8.7339 -3.4031 -3.4031 2.5142 2.5142 3.8805 3.8805 4.0156 4.0156 6.0732 6.0732 7.2144 7.2144 7.2606 7.2606 11.1018 11.1018 12.1167 12.1167 12.1991 12.1991 12.3398 12.3398 k = 0.5345 0.0799-0.0275 ( 2724 PWs) bands (ev): -31.6937 -31.6937 -31.6224 -31.6224 -13.1098 -13.1098 -12.8758 -12.8758 -12.6680 -12.6680 -12.5315 -12.5315 -12.4903 -12.4903 -12.4327 -12.4327 -8.7373 -8.7373 -3.4078 -3.4078 2.5137 2.5137 3.9105 3.9105 4.0257 4.0257 6.0550 6.0550 7.2237 7.2237 7.2584 7.2584 11.0887 11.0887 12.1413 12.1413 12.2124 12.2124 12.3178 12.3178 k = 0.5287 0.0895-0.0090 ( 2722 PWs) bands (ev): -31.6941 -31.6941 -31.6225 -31.6225 -13.1102 -13.1102 -12.8740 -12.8740 -12.6673 -12.6673 -12.5281 -12.5281 -12.4916 -12.4916 -12.4311 -12.4311 -8.7401 -8.7401 -3.4118 -3.4118 2.5135 2.5135 3.9350 3.9350 4.0357 4.0357 6.0393 6.0393 7.2315 7.2315 7.2566 7.2566 11.0756 11.0756 12.1647 12.1647 12.2215 12.2215 12.2996 12.2996 k = 0.5230 0.0992 0.0095 ( 2722 PWs) bands (ev): -31.6945 -31.6945 -31.6226 -31.6226 -13.1106 -13.1106 -12.8726 -12.8726 -12.6668 -12.6668 -12.5250 -12.5250 -12.4930 -12.4930 -12.4298 -12.4298 -8.7424 -8.7424 -3.4151 -3.4151 2.5133 2.5133 3.9540 3.9540 4.0455 4.0455 6.0263 6.0263 7.2377 7.2377 7.2552 7.2552 11.0634 11.0634 12.1857 12.1857 12.2268 12.2268 12.2855 12.2855 k = 0.5172 0.1088 0.0280 ( 2718 PWs) bands (ev): -31.6948 -31.6948 -31.6227 -31.6227 -13.1109 -13.1109 -12.8714 -12.8714 -12.6664 -12.6664 -12.5223 -12.5223 -12.4943 -12.4943 -12.4287 -12.4287 -8.7443 -8.7443 -3.4178 -3.4178 2.5131 2.5131 3.9677 3.9677 4.0544 4.0544 6.0161 6.0161 7.2421 7.2421 7.2546 7.2546 11.0531 11.0531 12.2032 12.2032 12.2291 12.2291 12.2757 12.2757 k = 0.5115 0.1184 0.0465 ( 2722 PWs) bands (ev): -31.6950 -31.6950 -31.6227 -31.6227 -13.1111 -13.1111 -12.8706 -12.8706 -12.6661 -12.6661 -12.5202 -12.5202 -12.4955 -12.4955 -12.4279 -12.4279 -8.7456 -8.7456 -3.4196 -3.4196 2.5130 2.5130 3.9767 3.9767 4.0617 4.0617 6.0087 6.0087 7.2447 7.2447 7.2546 7.2546 11.0452 11.0452 12.2163 12.2163 12.2292 12.2292 12.2700 12.2700 k = 0.5057 0.1281 0.0650 ( 2714 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1111 -13.1111 -12.8701 -12.8701 -12.6659 -12.6659 -12.5188 -12.5188 -12.4963 -12.4963 -12.4275 -12.4275 -8.7464 -8.7464 -3.4208 -3.4208 2.5130 2.5130 3.9818 3.9818 4.0665 4.0665 6.0043 6.0043 7.2459 7.2459 7.2551 7.2551 11.0404 11.0404 12.2240 12.2240 12.2289 12.2289 12.2672 12.2672 k = 0.5000 0.1377 0.0835 ( 2726 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1112 -13.1112 -12.8700 -12.8700 -12.6658 -12.6658 -12.5183 -12.5183 -12.4967 -12.4967 -12.4274 -12.4274 -8.7466 -8.7466 -3.4212 -3.4212 2.5130 2.5130 3.9835 3.9835 4.0681 4.0681 6.0028 6.0028 7.2461 7.2461 7.2553 7.2553 11.0387 11.0387 12.2258 12.2258 12.2294 12.2294 12.2664 12.2664 k = 0.5000 0.1377 0.0835 ( 2726 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1112 -13.1112 -12.8700 -12.8700 -12.6658 -12.6658 -12.5183 -12.5183 -12.4967 -12.4967 -12.4274 -12.4274 -8.7466 -8.7466 -3.4212 -3.4212 2.5130 2.5130 3.9835 3.9835 4.0681 4.0681 6.0028 6.0028 7.2461 7.2461 7.2553 7.2553 11.0387 11.0387 12.2258 12.2258 12.2294 12.2294 12.2664 12.2664 k = 0.4792 0.1320 0.0801 ( 2720 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1115 -13.1115 -12.8697 -12.8697 -12.6659 -12.6659 -12.5181 -12.5181 -12.4967 -12.4967 -12.4273 -12.4273 -8.7468 -8.7468 -3.4209 -3.4209 2.5120 2.5120 3.9834 3.9834 4.0680 4.0680 6.0053 6.0053 7.2466 7.2466 7.2558 7.2558 11.0379 11.0379 12.2236 12.2236 12.2269 12.2269 12.2487 12.2487 k = 0.4583 0.1262 0.0766 ( 2738 PWs) bands (ev): -31.6952 -31.6952 -31.6227 -31.6227 -13.1126 -13.1126 -12.8691 -12.8691 -12.6662 -12.6662 -12.5174 -12.5174 -12.4967 -12.4967 -12.4273 -12.4273 -8.7473 -8.7473 -3.4203 -3.4203 2.5089 2.5089 3.9831 3.9831 4.0677 4.0677 6.0127 6.0127 7.2478 7.2478 7.2571 7.2571 11.0355 11.0355 12.1988 12.1988 12.2173 12.2173 12.2220 12.2220 k = 0.4375 0.1205 0.0731 ( 2726 PWs) bands (ev): -31.6952 -31.6952 -31.6227 -31.6227 -13.1140 -13.1140 -12.8680 -12.8680 -12.6665 -12.6665 -12.5163 -12.5163 -12.4967 -12.4967 -12.4273 -12.4273 -8.7480 -8.7480 -3.4192 -3.4192 2.5039 2.5039 3.9826 3.9826 4.0672 4.0672 6.0251 6.0251 7.2500 7.2500 7.2593 7.2593 11.0312 11.0312 12.1315 12.1315 12.2072 12.2072 12.2114 12.2114 k = 0.4167 0.1148 0.0696 ( 2711 PWs) bands (ev): -31.6952 -31.6952 -31.6227 -31.6227 -13.1160 -13.1160 -12.8665 -12.8665 -12.6670 -12.6670 -12.5146 -12.5146 -12.4967 -12.4967 -12.4272 -12.4272 -8.7491 -8.7491 -3.4176 -3.4176 2.4970 2.4970 3.9819 3.9819 4.0665 4.0665 6.0423 6.0423 7.2529 7.2529 7.2623 7.2623 11.0245 11.0245 12.0538 12.0538 12.1936 12.1936 12.1977 12.1977 k = 0.3958 0.1090 0.0661 ( 2715 PWs) bands (ev): -31.6952 -31.6952 -31.6226 -31.6226 -13.1185 -13.1185 -12.8647 -12.8647 -12.6676 -12.6676 -12.5127 -12.5127 -12.4967 -12.4967 -12.4272 -12.4272 -8.7504 -8.7504 -3.4157 -3.4157 2.4884 2.4884 3.9811 3.9811 4.0657 4.0657 6.0638 6.0638 7.2566 7.2566 7.2661 7.2661 11.0147 11.0147 11.9723 11.9723 12.1771 12.1771 12.1812 12.1812 k = 0.3750 0.1033 0.0627 ( 2721 PWs) bands (ev): -31.6953 -31.6953 -31.6226 -31.6226 -13.1214 -13.1214 -12.8627 -12.8627 -12.6683 -12.6683 -12.5105 -12.5105 -12.4967 -12.4967 -12.4272 -12.4272 -8.7520 -8.7520 -3.4135 -3.4135 2.4782 2.4782 3.9801 3.9801 4.0647 4.0647 6.0895 6.0895 7.2610 7.2610 7.2706 7.2706 11.0007 11.0007 11.8916 11.8916 12.1582 12.1582 12.1623 12.1623 k = 0.3542 0.0976 0.0592 ( 2721 PWs) bands (ev): -31.6954 -31.6954 -31.6225 -31.6225 -13.1246 -13.1246 -12.8604 -12.8604 -12.6690 -12.6690 -12.5079 -12.5079 -12.4967 -12.4967 -12.4272 -12.4272 -8.7538 -8.7538 -3.4109 -3.4109 2.4668 2.4668 3.9790 3.9790 4.0635 4.0635 6.1190 6.1190 7.2660 7.2660 7.2758 7.2758 10.9815 10.9815 11.8149 11.8149 12.1377 12.1377 12.1418 12.1418 k = 0.3333 0.0918 0.0557 ( 2721 PWs) bands (ev): -31.6954 -31.6954 -31.6224 -31.6224 -13.1281 -13.1281 -12.8579 -12.8579 -12.6699 -12.6699 -12.5050 -12.5050 -12.4967 -12.4967 -12.4272 -12.4272 -8.7558 -8.7558 -3.4080 -3.4080 2.4542 2.4542 3.9777 3.9777 4.0622 4.0622 6.1519 6.1519 7.2715 7.2715 7.2815 7.2815 10.9559 10.9559 11.7449 11.7449 12.1160 12.1160 12.1201 12.1201 k = 0.3125 0.0861 0.0522 ( 2727 PWs) bands (ev): -31.6955 -31.6955 -31.6224 -31.6224 -13.1319 -13.1319 -12.8554 -12.8554 -12.6708 -12.6708 -12.5020 -12.5020 -12.4968 -12.4968 -12.4272 -12.4272 -8.7580 -8.7580 -3.4049 -3.4049 2.4408 2.4408 3.9764 3.9764 4.0608 4.0608 6.1877 6.1877 7.2775 7.2775 7.2877 7.2877 10.9228 10.9228 11.6836 11.6836 12.0937 12.0937 12.0977 12.0977 k = 0.2917 0.0803 0.0487 ( 2727 PWs) bands (ev): -31.6956 -31.6956 -31.6223 -31.6223 -13.1357 -13.1357 -12.8528 -12.8528 -12.6717 -12.6717 -12.4988 -12.4988 -12.4968 -12.4968 -12.4272 -12.4272 -8.7602 -8.7602 -3.4016 -3.4016 2.4268 2.4268 3.9750 3.9750 4.0594 4.0594 6.2259 6.2259 7.2839 7.2839 7.2942 7.2942 10.8817 10.8817 11.6325 11.6325 12.0712 12.0712 12.0752 12.0752 k = 0.2708 0.0746 0.0452 ( 2727 PWs) bands (ev): -31.6957 -31.6957 -31.6222 -31.6222 -13.1395 -13.1395 -12.8502 -12.8502 -12.6726 -12.6726 -12.4968 -12.4968 -12.4955 -12.4955 -12.4271 -12.4271 -8.7626 -8.7626 -3.3983 -3.3983 2.4124 2.4124 3.9735 3.9735 4.0579 4.0579 6.2660 6.2660 7.2905 7.2905 7.3010 7.3010 10.8329 10.8329 11.5919 11.5919 12.0488 12.0488 12.0529 12.0529 k = 0.2500 0.0689 0.0418 ( 2733 PWs) bands (ev): -31.6958 -31.6958 -31.6221 -31.6221 -13.1434 -13.1434 -12.8477 -12.8477 -12.6735 -12.6735 -12.4968 -12.4968 -12.4922 -12.4922 -12.4272 -12.4272 -8.7650 -8.7650 -3.3948 -3.3948 2.3980 2.3980 3.9721 3.9721 4.0563 4.0563 6.3073 6.3073 7.2972 7.2972 7.3080 7.3080 10.7777 10.7777 11.5611 11.5611 12.0270 12.0270 12.0311 12.0311 k = 0.2292 0.0631 0.0383 ( 2739 PWs) bands (ev): -31.6958 -31.6958 -31.6221 -31.6221 -13.1472 -13.1472 -12.8452 -12.8452 -12.6744 -12.6744 -12.4969 -12.4969 -12.4889 -12.4889 -12.4272 -12.4272 -8.7674 -8.7674 -3.3913 -3.3913 2.3837 2.3837 3.9706 3.9706 4.0548 4.0548 6.3491 6.3491 7.3039 7.3039 7.3149 7.3149 10.7179 10.7179 11.5390 11.5390 12.0061 12.0061 12.0102 12.0102 k = 0.2083 0.0574 0.0348 ( 2739 PWs) bands (ev): -31.6959 -31.6959 -31.6220 -31.6220 -13.1508 -13.1508 -12.8428 -12.8428 -12.6753 -12.6753 -12.4969 -12.4969 -12.4857 -12.4857 -12.4271 -12.4271 -8.7698 -8.7698 -3.3880 -3.3880 2.3698 2.3698 3.9692 3.9692 4.0533 4.0533 6.3909 6.3909 7.3106 7.3106 7.3218 7.3218 10.6556 10.6556 11.5239 11.5239 11.9863 11.9863 11.9904 11.9904 k = 0.1875 0.0516 0.0313 ( 2736 PWs) bands (ev): -31.6960 -31.6960 -31.6219 -31.6219 -13.1541 -13.1541 -12.8406 -12.8406 -12.6761 -12.6761 -12.4969 -12.4969 -12.4826 -12.4826 -12.4271 -12.4271 -8.7720 -8.7720 -3.3847 -3.3847 2.3565 2.3565 3.9678 3.9678 4.0519 4.0519 6.4319 6.4319 7.3171 7.3171 7.3284 7.3284 10.5929 10.5929 11.5143 11.5143 11.9678 11.9678 11.9720 11.9720 k = 0.1667 0.0459 0.0278 ( 2745 PWs) bands (ev): -31.6961 -31.6961 -31.6218 -31.6218 -13.1573 -13.1573 -12.8386 -12.8386 -12.6768 -12.6768 -12.4970 -12.4970 -12.4797 -12.4797 -12.4271 -12.4271 -8.7742 -8.7742 -3.3816 -3.3816 2.3440 2.3440 3.9665 3.9665 4.0505 4.0505 6.4714 6.4714 7.3232 7.3232 7.3348 7.3348 10.5318 10.5318 11.5088 11.5088 11.9507 11.9507 11.9550 11.9550 k = 0.1458 0.0402 0.0244 ( 2742 PWs) bands (ev): -31.6961 -31.6961 -31.6218 -31.6218 -13.1602 -13.1602 -12.8368 -12.8368 -12.6775 -12.6775 -12.4970 -12.4970 -12.4770 -12.4770 -12.4271 -12.4271 -8.7762 -8.7762 -3.3787 -3.3787 2.3325 2.3325 3.9652 3.9652 4.0492 4.0492 6.5086 6.5086 7.3289 7.3289 7.3406 7.3406 10.4738 10.4738 11.5063 11.5063 11.9354 11.9354 11.9397 11.9397 k = 0.1250 0.0344 0.0209 ( 2739 PWs) bands (ev): -31.6962 -31.6962 -31.6217 -31.6217 -13.1628 -13.1628 -12.8351 -12.8351 -12.6781 -12.6781 -12.4970 -12.4970 -12.4746 -12.4746 -12.4271 -12.4271 -8.7780 -8.7780 -3.3761 -3.3761 2.3222 2.3222 3.9642 3.9642 4.0481 4.0481 6.5428 6.5428 7.3341 7.3341 7.3460 7.3460 10.4206 10.4206 11.5057 11.5057 11.9218 11.9218 11.9261 11.9261 k = 0.1042 0.0287 0.0174 ( 2733 PWs) bands (ev): -31.6962 -31.6962 -31.6216 -31.6216 -13.1649 -13.1649 -12.8337 -12.8337 -12.6786 -12.6786 -12.4970 -12.4970 -12.4725 -12.4725 -12.4271 -12.4271 -8.7796 -8.7796 -3.3738 -3.3738 2.3133 2.3133 3.9632 3.9632 4.0471 4.0471 6.5733 6.5733 7.3386 7.3386 7.3507 7.3507 10.3733 10.3733 11.5063 11.5063 11.9102 11.9102 11.9145 11.9145 k = 0.0833 0.0230 0.0139 ( 2718 PWs) bands (ev): -31.6963 -31.6963 -31.6216 -31.6216 -13.1667 -13.1667 -12.8325 -12.8325 -12.6791 -12.6791 -12.4970 -12.4970 -12.4706 -12.4706 -12.4270 -12.4270 -8.7809 -8.7809 -3.3718 -3.3718 2.3058 2.3058 3.9624 3.9624 4.0463 4.0463 6.5993 6.5993 7.3425 7.3425 7.3546 7.3546 10.3332 10.3332 11.5077 11.5077 11.9005 11.9005 11.9049 11.9049 k = 0.0625 0.0172 0.0104 ( 2715 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1682 -13.1682 -12.8315 -12.8315 -12.6794 -12.6794 -12.4969 -12.4969 -12.4692 -12.4692 -12.4270 -12.4270 -8.7820 -8.7820 -3.3703 -3.3703 2.2998 2.2998 3.9618 3.9618 4.0456 4.0456 6.6202 6.6202 7.3456 7.3456 7.3578 7.3578 10.3009 10.3009 11.5091 11.5091 11.8930 11.8930 11.8974 11.8974 k = 0.0417 0.0115 0.0070 ( 2727 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1693 -13.1693 -12.8309 -12.8309 -12.6797 -12.6797 -12.4970 -12.4970 -12.4682 -12.4682 -12.4271 -12.4271 -8.7827 -8.7827 -3.3692 -3.3692 2.2955 2.2955 3.9613 3.9613 4.0451 4.0451 6.6355 6.6355 7.3478 7.3478 7.3601 7.3601 10.2774 10.2774 11.5104 11.5104 11.8875 11.8875 11.8919 11.8919 k = 0.0208 0.0057 0.0035 ( 2727 PWs) bands (ev): -31.6964 -31.6964 -31.6215 -31.6215 -13.1700 -13.1700 -12.8305 -12.8305 -12.6798 -12.6798 -12.4970 -12.4970 -12.4675 -12.4675 -12.4271 -12.4271 -8.7832 -8.7832 -3.3685 -3.3685 2.2929 2.2929 3.9610 3.9610 4.0448 4.0448 6.6449 6.6449 7.3491 7.3491 7.3615 7.3615 10.2630 10.2630 11.5112 11.5112 11.8842 11.8842 11.8886 11.8886 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1702 -13.1702 -12.8303 -12.8303 -12.6799 -12.6799 -12.4970 -12.4970 -12.4673 -12.4673 -12.4270 -12.4270 -8.7834 -8.7834 -3.3683 -3.3683 2.2920 2.2920 3.9609 3.9609 4.0447 4.0447 6.6481 6.6481 7.3496 7.3496 7.3619 7.3619 10.2582 10.2582 11.5115 11.5115 11.8831 11.8831 11.8876 11.8876 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1702 -13.1702 -12.8303 -12.8303 -12.6799 -12.6799 -12.4970 -12.4970 -12.4673 -12.4673 -12.4270 -12.4270 -8.7834 -8.7834 -3.3683 -3.3683 2.2920 2.2920 3.9609 3.9609 4.0447 4.0447 6.6481 6.6481 7.3496 7.3496 7.3619 7.3619 10.2582 10.2582 11.5115 11.5115 11.8831 11.8831 11.8876 11.8876 k = 0.0058-0.0097-0.0187 ( 2727 PWs) bands (ev): -31.6963 -31.6963 -31.6215 -31.6215 -13.1700 -13.1700 -12.8306 -12.8306 -12.6799 -12.6799 -12.4973 -12.4973 -12.4672 -12.4672 -12.4273 -12.4273 -8.7830 -8.7830 -3.3680 -3.3680 2.2926 2.2926 3.9595 3.9595 4.0433 4.0433 6.6484 6.6484 7.3480 7.3480 7.3607 7.3607 10.2627 10.2627 11.5140 11.5140 11.8815 11.8815 11.8879 11.8879 k = 0.0116-0.0194-0.0373 ( 2725 PWs) bands (ev): -31.6962 -31.6962 -31.6215 -31.6215 -13.1697 -13.1697 -12.8311 -12.8311 -12.6802 -12.6802 -12.4983 -12.4983 -12.4669 -12.4669 -12.4278 -12.4278 -8.7820 -8.7820 -3.3672 -3.3672 2.2943 2.2943 3.9550 3.9550 4.0391 4.0391 6.6494 6.6494 7.3420 7.3420 7.3583 7.3583 10.2762 10.2762 11.5214 11.5214 11.8735 11.8735 11.8924 11.8924 k = 0.0174-0.0292-0.0560 ( 2727 PWs) bands (ev): -31.6960 -31.6960 -31.6214 -31.6214 -13.1691 -13.1691 -12.8321 -12.8321 -12.6806 -12.6806 -12.5000 -12.5000 -12.4665 -12.4665 -12.4288 -12.4288 -8.7803 -8.7803 -3.3660 -3.3660 2.2972 2.2972 3.9470 3.9470 4.0325 4.0325 6.6511 6.6511 7.3300 7.3300 7.3566 7.3566 10.2983 10.2983 11.5336 11.5336 11.8592 11.8592 11.9008 11.9008 k = 0.0232-0.0389-0.0747 ( 2725 PWs) bands (ev): -31.6957 -31.6957 -31.6214 -31.6214 -13.1682 -13.1682 -12.8334 -12.8334 -12.6810 -12.6810 -12.5021 -12.5021 -12.4661 -12.4661 -12.4302 -12.4302 -8.7779 -8.7779 -3.3642 -3.3642 2.3012 2.3012 3.9351 3.9351 4.0244 4.0244 6.6534 6.6534 7.3123 7.3123 7.3555 7.3555 10.3286 10.3286 11.5505 11.5505 11.8394 11.8394 11.9128 11.9128 k = 0.0290-0.0486-0.0933 ( 2723 PWs) bands (ev): -31.6953 -31.6953 -31.6213 -31.6213 -13.1671 -13.1671 -12.8352 -12.8352 -12.6817 -12.6817 -12.5046 -12.5046 -12.4657 -12.4657 -12.4318 -12.4318 -8.7748 -8.7748 -3.3620 -3.3620 2.3063 2.3063 3.9186 3.9186 4.0153 4.0153 6.6563 6.6563 7.2900 7.2900 7.3547 7.3547 10.3666 10.3666 11.5719 11.5719 11.8143 11.8143 11.9282 11.9282 k = 0.0348-0.0583-0.1120 ( 2721 PWs) bands (ev): -31.6948 -31.6948 -31.6212 -31.6212 -13.1658 -13.1658 -12.8373 -12.8373 -12.6825 -12.6825 -12.5076 -12.5076 -12.4654 -12.4654 -12.4337 -12.4337 -8.7711 -8.7711 -3.3593 -3.3593 2.3125 2.3125 3.8971 3.8971 4.0058 4.0058 6.6600 6.6600 7.2636 7.2636 7.3538 7.3538 10.4115 10.4115 11.5975 11.5975 11.7844 11.7844 11.9472 11.9472 k = 0.0406-0.0681-0.1306 ( 2719 PWs) bands (ev): -31.6943 -31.6943 -31.6211 -31.6211 -13.1642 -13.1642 -12.8397 -12.8397 -12.6834 -12.6834 -12.5109 -12.5109 -12.4654 -12.4654 -12.4358 -12.4358 -8.7667 -8.7667 -3.3561 -3.3561 2.3198 2.3198 3.8706 3.8706 3.9962 3.9962 6.6642 6.6642 7.2337 7.2337 7.3529 7.3529 10.4627 10.4627 11.6271 11.6271 11.7503 11.7503 11.9697 11.9697 k = 0.0464-0.0778-0.1493 ( 2717 PWs) bands (ev): -31.6937 -31.6937 -31.6210 -31.6210 -13.1625 -13.1625 -12.8426 -12.8426 -12.6845 -12.6845 -12.5145 -12.5145 -12.4657 -12.4657 -12.4380 -12.4380 -8.7617 -8.7617 -3.3524 -3.3524 2.3280 2.3280 3.8393 3.8393 3.9864 3.9864 6.6691 6.6691 7.2011 7.2011 7.3519 7.3519 10.5194 10.5194 11.6601 11.6601 11.7126 11.7126 11.9957 11.9957 k = 0.0522-0.0875-0.1680 ( 2717 PWs) bands (ev): -31.6930 -31.6930 -31.6208 -31.6208 -13.1605 -13.1605 -12.8458 -12.8458 -12.6856 -12.6856 -12.5183 -12.5183 -12.4665 -12.4665 -12.4402 -12.4402 -8.7562 -8.7562 -3.3483 -3.3483 2.3372 2.3372 3.8037 3.8037 3.9763 3.9763 6.6746 6.6746 7.1662 7.1662 7.3508 7.3508 10.5807 10.5807 11.6717 11.6717 11.6965 11.6965 12.0252 12.0252 k = 0.0580-0.0972-0.1866 ( 2721 PWs) bands (ev): -31.6922 -31.6922 -31.6207 -31.6207 -13.1584 -13.1584 -12.8494 -12.8494 -12.6870 -12.6870 -12.5224 -12.5224 -12.4678 -12.4678 -12.4423 -12.4423 -8.7501 -8.7501 -3.3438 -3.3438 2.3473 2.3473 3.7641 3.7641 3.9657 3.9657 6.6808 6.6808 7.1296 7.1296 7.3497 7.3497 10.6459 10.6459 11.6289 11.6289 11.7353 11.7353 12.0582 12.0582 k = 0.0638-0.1070-0.2053 ( 2721 PWs) bands (ev): -31.6914 -31.6914 -31.6206 -31.6206 -13.1561 -13.1561 -12.8534 -12.8534 -12.6884 -12.6884 -12.5268 -12.5268 -12.4696 -12.4696 -12.4442 -12.4442 -8.7434 -8.7434 -3.3388 -3.3388 2.3583 2.3583 3.7210 3.7210 3.9546 3.9546 6.6875 6.6875 7.0918 7.0918 7.3484 7.3484 10.7143 10.7143 11.5844 11.5844 11.7763 11.7763 12.0946 12.0946 k = 0.0696-0.1167-0.2240 ( 2725 PWs) bands (ev): -31.6905 -31.6905 -31.6204 -31.6204 -13.1536 -13.1536 -12.8577 -12.8577 -12.6899 -12.6899 -12.5313 -12.5313 -12.4721 -12.4721 -12.4458 -12.4458 -8.7363 -8.7363 -3.3335 -3.3335 2.3701 2.3701 3.6747 3.6747 3.9426 3.9426 6.6948 6.6948 7.0532 7.0532 7.3470 7.3470 10.7851 10.7851 11.5390 11.5390 11.8188 11.8188 12.1341 12.1341 k = 0.0754-0.1264-0.2426 ( 2725 PWs) bands (ev): -31.6895 -31.6895 -31.6202 -31.6202 -13.1510 -13.1510 -12.8624 -12.8624 -12.6915 -12.6915 -12.5360 -12.5360 -12.4750 -12.4750 -12.4472 -12.4472 -8.7286 -8.7286 -3.3277 -3.3277 2.3827 2.3827 3.6257 3.6257 3.9299 3.9299 6.7027 6.7027 7.0143 7.0143 7.3454 7.3454 10.8578 10.8578 11.4933 11.4933 11.8624 11.8624 12.1762 12.1762 k = 0.0811-0.1361-0.2613 ( 2725 PWs) bands (ev): -31.6884 -31.6884 -31.6201 -31.6201 -13.1483 -13.1483 -12.8673 -12.8673 -12.6932 -12.6932 -12.5408 -12.5408 -12.4785 -12.4785 -12.4485 -12.4485 -8.7206 -8.7206 -3.3217 -3.3217 2.3959 2.3959 3.5743 3.5743 3.9163 3.9163 6.7111 6.7111 6.9755 6.9755 7.3438 7.3438 10.9316 10.9316 11.4478 11.4478 11.9065 11.9065 12.2201 12.2201 k = 0.0869-0.1459-0.2799 ( 2725 PWs) bands (ev): -31.6873 -31.6873 -31.6199 -31.6199 -13.1454 -13.1454 -12.8726 -12.8726 -12.6950 -12.6950 -12.5458 -12.5458 -12.4823 -12.4823 -12.4496 -12.4496 -8.7121 -8.7121 -3.3153 -3.3153 2.4097 2.4097 3.5210 3.5210 3.9017 3.9017 6.7201 6.7201 6.9370 6.9370 7.3419 7.3419 11.0060 11.0060 11.4031 11.4031 11.9503 11.9503 12.2642 12.2642 k = 0.0927-0.1556-0.2986 ( 2731 PWs) bands (ev): -31.6862 -31.6862 -31.6197 -31.6197 -13.1426 -13.1426 -12.8782 -12.8782 -12.6968 -12.6968 -12.5510 -12.5510 -12.4864 -12.4864 -12.4507 -12.4507 -8.7033 -8.7033 -3.3085 -3.3085 2.4241 2.4241 3.4660 3.4660 3.8861 3.8861 6.7296 6.7296 6.8991 6.8991 7.3399 7.3399 11.0805 11.0805 11.3595 11.3595 11.9932 11.9932 12.3061 12.3061 k = 0.0985-0.1653-0.3173 ( 2729 PWs) bands (ev): -31.6849 -31.6849 -31.6195 -31.6195 -13.1396 -13.1396 -12.8840 -12.8840 -12.6987 -12.6987 -12.5562 -12.5562 -12.4906 -12.4906 -12.4517 -12.4517 -8.6941 -8.6941 -3.3015 -3.3015 2.4389 2.4389 3.4097 3.4097 3.8695 3.8695 6.7396 6.7396 6.8620 6.8620 7.3378 7.3378 11.1547 11.1547 11.3175 11.3175 12.0339 12.0339 12.3418 12.3419 k = 0.1043-0.1750-0.3359 ( 2729 PWs) bands (ev): -31.6837 -31.6837 -31.6194 -31.6194 -13.1366 -13.1366 -12.8901 -12.8901 -12.7006 -12.7006 -12.5615 -12.5615 -12.4950 -12.4950 -12.4528 -12.4528 -8.6846 -8.6846 -3.2943 -3.2943 2.4541 2.4541 3.3524 3.3524 3.8518 3.8518 6.7501 6.7501 6.8261 6.8261 7.3354 7.3354 11.2280 11.2280 11.2773 11.2773 12.0707 12.0707 12.3673 12.3673 k = 0.1101-0.1847-0.3546 ( 2729 PWs) bands (ev): -31.6824 -31.6824 -31.6192 -31.6192 -13.1335 -13.1335 -12.8965 -12.8965 -12.7025 -12.7025 -12.5669 -12.5669 -12.4995 -12.4995 -12.4539 -12.4539 -8.6749 -8.6749 -3.2868 -3.2868 2.4697 2.4697 3.2945 3.2945 3.8331 3.8331 6.7609 6.7609 6.7914 6.7914 7.3327 7.3327 11.2393 11.2393 11.3001 11.3001 12.1008 12.1008 12.3822 12.3822 k = 0.1159-0.1945-0.3733 ( 2729 PWs) bands (ev): -31.6810 -31.6810 -31.6190 -31.6190 -13.1305 -13.1305 -12.9030 -12.9030 -12.7045 -12.7045 -12.5723 -12.5723 -12.5040 -12.5040 -12.4550 -12.4550 -8.6649 -8.6649 -3.2791 -3.2791 2.4855 2.4855 3.2362 3.2362 3.8133 3.8133 6.7575 6.7575 6.7728 6.7728 7.3298 7.3298 11.2037 11.2037 11.3706 11.3706 12.1202 12.1202 12.3930 12.3930 k = 0.1217-0.2042-0.3919 ( 2725 PWs) bands (ev): -31.6796 -31.6796 -31.6188 -31.6188 -13.1275 -13.1275 -12.9097 -12.9097 -12.7064 -12.7064 -12.5777 -12.5777 -12.5086 -12.5086 -12.4563 -12.4563 -8.6548 -8.6548 -3.2712 -3.2712 2.5015 2.5015 3.1779 3.1779 3.7923 3.7923 6.7258 6.7258 6.7844 6.7844 7.3266 7.3266 11.1706 11.1706 11.4391 11.4391 12.1253 12.1253 12.4088 12.4088 k = 0.1275-0.2139-0.4106 ( 2723 PWs) bands (ev): -31.6781 -31.6781 -31.6187 -31.6187 -13.1245 -13.1245 -12.9165 -12.9165 -12.7083 -12.7083 -12.5831 -12.5831 -12.5131 -12.5131 -12.4576 -12.4576 -8.6446 -8.6446 -3.2631 -3.2631 2.5175 2.5175 3.1198 3.1198 3.7703 3.7703 6.6955 6.6955 6.7965 6.7965 7.3230 7.3230 11.1404 11.1404 11.5053 11.5053 12.1161 12.1161 12.4345 12.4345 k = 0.1333-0.2236-0.4292 ( 2717 PWs) bands (ev): -31.6767 -31.6767 -31.6185 -31.6185 -13.1215 -13.1215 -12.9234 -12.9234 -12.7102 -12.7102 -12.5884 -12.5884 -12.5176 -12.5176 -12.4590 -12.4590 -8.6342 -8.6342 -3.2549 -3.2549 2.5336 2.5336 3.0623 3.0623 3.7471 3.7471 6.6669 6.6669 6.8090 6.8090 7.3190 7.3190 11.1131 11.1131 11.5686 11.5686 12.0959 12.0959 12.4696 12.4696 k = 0.1391-0.2334-0.4479 ( 2715 PWs) bands (ev): -31.6751 -31.6751 -31.6184 -31.6184 -13.1187 -13.1187 -12.9305 -12.9305 -12.7121 -12.7121 -12.5936 -12.5936 -12.5221 -12.5221 -12.4605 -12.4605 -8.6238 -8.6238 -3.2466 -3.2466 2.5496 2.5496 3.0055 3.0055 3.7229 3.7229 6.6399 6.6399 6.8218 6.8218 7.3146 7.3146 11.0890 11.0890 11.6286 11.6286 12.0691 12.0691 12.5115 12.5115 k = 0.1449-0.2431-0.4666 ( 2727 PWs) bands (ev): -31.6736 -31.6736 -31.6183 -31.6183 -13.1160 -13.1160 -12.9376 -12.9376 -12.7140 -12.7140 -12.5989 -12.5989 -12.5266 -12.5266 -12.4621 -12.4621 -8.6133 -8.6133 -3.2383 -3.2383 2.5654 2.5654 2.9498 2.9498 3.6976 3.6976 6.6147 6.6147 6.8349 6.8349 7.3098 7.3098 11.0680 11.0680 11.6845 11.6845 12.0392 12.0392 12.5581 12.5581 k = 0.1507-0.2528-0.4852 ( 2727 PWs) bands (ev): -31.6721 -31.6721 -31.6182 -31.6182 -13.1133 -13.1133 -12.9446 -12.9446 -12.7158 -12.7158 -12.6039 -12.6039 -12.5310 -12.5310 -12.4637 -12.4637 -8.6028 -8.6028 -3.2299 -3.2299 2.5809 2.5809 2.8955 2.8955 3.6712 3.6712 6.5914 6.5914 6.8483 6.8483 7.3044 7.3044 11.0504 11.0504 11.7352 11.7352 12.0092 12.0092 12.6079 12.6079 k = 0.1565-0.2625-0.5039 ( 2727 PWs) bands (ev): -31.6705 -31.6705 -31.6182 -31.6182 -13.1108 -13.1108 -12.9517 -12.9517 -12.7176 -12.7176 -12.6087 -12.6087 -12.5354 -12.5354 -12.4655 -12.4655 -8.5924 -8.5924 -3.2215 -3.2215 2.5959 2.5959 2.8430 2.8430 3.6437 3.6437 6.5699 6.5699 6.8618 6.8618 7.2986 7.2986 11.0362 11.0362 11.7784 11.7784 11.9825 11.9825 12.6600 12.6601 k = 0.1623-0.2723-0.5226 ( 2727 PWs) bands (ev): -31.6689 -31.6689 -31.6181 -31.6181 -13.1084 -13.1084 -12.9587 -12.9587 -12.7193 -12.7193 -12.6134 -12.6134 -12.5397 -12.5397 -12.4673 -12.4673 -8.5821 -8.5821 -3.2131 -3.2131 2.6099 2.6099 2.7928 2.7928 3.6152 3.6152 6.5503 6.5503 6.8754 6.8754 7.2922 7.2922 11.0255 11.0255 11.8089 11.8089 11.9646 11.9646 12.7139 12.7141 k = 0.1681-0.2820-0.5412 ( 2725 PWs) bands (ev): -31.6673 -31.6673 -31.6181 -31.6181 -13.1062 -13.1062 -12.9656 -12.9656 -12.7210 -12.7210 -12.6178 -12.6178 -12.5440 -12.5440 -12.4692 -12.4692 -8.5719 -8.5719 -3.2047 -3.2047 2.6219 2.6219 2.7461 2.7461 3.5858 3.5858 6.5325 6.5325 6.8891 6.8891 7.2852 7.2852 11.0183 11.0183 11.8189 11.8189 11.9637 11.9637 12.7608 12.7612 k = 0.1739-0.2917-0.5599 ( 2721 PWs) bands (ev): -31.6657 -31.6657 -31.6181 -31.6181 -13.1040 -13.1040 -12.9724 -12.9724 -12.7227 -12.7227 -12.6219 -12.6219 -12.5482 -12.5482 -12.4712 -12.4712 -8.5618 -8.5618 -3.1965 -3.1965 2.6282 2.6282 2.7068 2.7068 3.5553 3.5553 6.5166 6.5166 6.9027 6.9027 7.2777 7.2777 11.0146 11.0146 11.8083 11.8083 11.9801 11.9801 12.7554 12.7554 k = 0.1797-0.3014-0.5785 ( 2719 PWs) bands (ev): -31.6641 -31.6641 -31.6181 -31.6181 -13.1020 -13.1020 -12.9790 -12.9790 -12.7244 -12.7244 -12.6257 -12.6257 -12.5524 -12.5524 -12.4732 -12.4732 -8.5519 -8.5519 -3.1883 -3.1883 2.6173 2.6173 2.6866 2.6866 3.5239 3.5239 6.5026 6.5026 6.9163 6.9163 7.2697 7.2697 11.0146 11.0146 11.7863 11.7863 12.0045 12.0045 12.7469 12.7469 k = 0.1855-0.3112-0.5972 ( 2719 PWs) bands (ev): -31.6625 -31.6625 -31.6182 -31.6182 -13.1001 -13.1001 -12.9855 -12.9855 -12.7261 -12.7261 -12.6293 -12.6293 -12.5565 -12.5565 -12.4753 -12.4753 -8.5422 -8.5422 -3.1802 -3.1802 2.5864 2.5864 2.6882 2.6882 3.4916 3.4916 6.4904 6.4904 6.9296 6.9296 7.2611 7.2611 11.0181 11.0181 11.7601 11.7601 12.0299 12.0299 12.7365 12.7365 k = 0.1913-0.3209-0.6159 ( 2703 PWs) bands (ev): -31.6608 -31.6608 -31.6183 -31.6183 -13.0984 -13.0984 -12.9917 -12.9917 -12.7279 -12.7279 -12.6324 -12.6324 -12.5605 -12.5605 -12.4774 -12.4774 -8.5327 -8.5327 -3.1724 -3.1724 2.5498 2.5498 2.6976 2.6976 3.4585 3.4585 6.4801 6.4801 6.9426 6.9426 7.2522 7.2522 11.0253 11.0253 11.7327 11.7327 12.0532 12.0532 12.7246 12.7246 k = 0.1971-0.3306-0.6345 ( 2703 PWs) bands (ev): -31.6592 -31.6592 -31.6184 -31.6184 -13.0968 -13.0968 -12.9977 -12.9977 -12.7298 -12.7298 -12.6351 -12.6351 -12.5644 -12.5644 -12.4796 -12.4796 -8.5235 -8.5235 -3.1646 -3.1646 2.5134 2.5134 2.7089 2.7089 3.4245 3.4245 6.4715 6.4715 6.9551 6.9551 7.2428 7.2428 11.0360 11.0360 11.7053 11.7053 12.0733 12.0733 12.7112 12.7112 k = 0.2029-0.3403-0.6532 ( 2709 PWs) bands (ev): -31.6576 -31.6576 -31.6185 -31.6185 -13.0953 -13.0953 -13.0034 -13.0034 -12.7318 -12.7318 -12.6374 -12.6374 -12.5684 -12.5684 -12.4819 -12.4819 -8.5145 -8.5145 -3.1572 -3.1572 2.4788 2.4788 2.7206 2.7206 3.3898 3.3898 6.4648 6.4648 6.9669 6.9669 7.2333 7.2333 11.0502 11.0502 11.6786 11.6786 12.0894 12.0894 12.6967 12.6967 k = 0.2087-0.3501-0.6719 ( 2707 PWs) bands (ev): -31.6561 -31.6561 -31.6187 -31.6187 -13.0939 -13.0939 -13.0089 -13.0089 -12.7340 -12.7340 -12.6393 -12.6393 -12.5722 -12.5722 -12.4841 -12.4841 -8.5059 -8.5059 -3.1499 -3.1499 2.4466 2.4466 2.7321 2.7321 3.3544 3.3544 6.4598 6.4598 6.9778 6.9778 7.2238 7.2238 11.0679 11.0679 11.6528 11.6528 12.1014 12.1014 12.6811 12.6811 k = 0.2145-0.3598-0.6905 ( 2709 PWs) bands (ev): -31.6545 -31.6545 -31.6189 -31.6189 -13.0926 -13.0926 -13.0141 -13.0141 -12.7364 -12.7364 -12.6407 -12.6407 -12.5759 -12.5759 -12.4864 -12.4864 -8.4976 -8.4976 -3.1429 -3.1429 2.4172 2.4172 2.7434 2.7434 3.3184 3.3184 6.4566 6.4566 6.9874 6.9874 7.2145 7.2145 11.0890 11.0890 11.6283 11.6283 12.1091 12.1091 12.6647 12.6647 k = 0.2203-0.3695-0.7092 ( 2709 PWs) bands (ev): -31.6530 -31.6530 -31.6192 -31.6192 -13.0914 -13.0914 -13.0190 -13.0190 -12.7390 -12.7390 -12.6417 -12.6417 -12.5796 -12.5796 -12.4888 -12.4888 -8.4896 -8.4896 -3.1361 -3.1361 2.3907 2.3907 2.7542 2.7542 3.2818 3.2818 6.4550 6.4550 6.9953 6.9953 7.2059 7.2059 11.1136 11.1136 11.6050 11.6050 12.1125 12.1125 12.6479 12.6479 k = 0.2261-0.3792-0.7278 ( 2713 PWs) bands (ev): -31.6515 -31.6515 -31.6194 -31.6194 -13.0903 -13.0903 -13.0235 -13.0235 -12.7418 -12.7418 -12.6422 -12.6422 -12.5831 -12.5831 -12.4911 -12.4911 -8.4820 -8.4820 -3.1297 -3.1297 2.3672 2.3672 2.7644 2.7644 3.2447 3.2447 6.4552 6.4552 7.0011 7.0011 7.1983 7.1983 11.1414 11.1414 11.5829 11.5829 12.1117 12.1117 12.6308 12.6308 k = 0.2319-0.3889-0.7465 ( 2711 PWs) bands (ev): -31.6500 -31.6500 -31.6197 -31.6197 -13.0892 -13.0892 -13.0277 -13.0277 -12.7447 -12.7447 -12.6423 -12.6423 -12.5865 -12.5865 -12.4935 -12.4935 -8.4748 -8.4748 -3.1236 -3.1236 2.3469 2.3469 2.7741 2.7741 3.2071 3.2071 6.4569 6.4569 7.0042 7.0042 7.1923 7.1923 11.1724 11.1724 11.5623 11.5623 12.1066 12.1066 12.6137 12.6137 k = 0.2376-0.3987-0.7652 ( 2711 PWs) bands (ev): -31.6485 -31.6485 -31.6201 -31.6201 -13.0881 -13.0881 -13.0316 -13.0316 -12.7479 -12.7479 -12.6421 -12.6421 -12.5897 -12.5897 -12.4958 -12.4958 -8.4680 -8.4680 -3.1178 -3.1178 2.3298 2.3298 2.7832 2.7832 3.1692 3.1692 6.4603 6.4603 7.0042 7.0042 7.1882 7.1882 11.2066 11.2066 11.5429 11.5429 12.0973 12.0973 12.5969 12.5969 k = 0.2434-0.4084-0.7838 ( 2715 PWs) bands (ev): -31.6471 -31.6471 -31.6205 -31.6205 -13.0871 -13.0871 -13.0352 -13.0352 -12.7512 -12.7512 -12.6415 -12.6415 -12.5928 -12.5928 -12.4982 -12.4982 -8.4616 -8.4616 -3.1124 -3.1124 2.3159 2.3159 2.7916 2.7916 3.1310 3.1310 6.4652 6.4652 7.0008 7.0008 7.1865 7.1865 11.2438 11.2438 11.5249 11.5249 12.0840 12.0840 12.5807 12.5808 k = 0.2492-0.4181-0.8025 ( 2711 PWs) bands (ev): -31.6457 -31.6457 -31.6209 -31.6209 -13.0861 -13.0861 -13.0385 -13.0385 -12.7546 -12.7546 -12.6406 -12.6406 -12.5956 -12.5956 -12.5004 -12.5004 -8.4556 -8.4556 -3.1073 -3.1073 2.3054 2.3054 2.7993 2.7993 3.0927 3.0927 6.4716 6.4716 6.9940 6.9940 7.1870 7.1870 11.2840 11.2840 11.5083 11.5083 12.0665 12.0665 12.5655 12.5655 k = 0.2550-0.4278-0.8212 ( 2713 PWs) bands (ev): -31.6444 -31.6444 -31.6213 -31.6213 -13.0851 -13.0851 -13.0414 -13.0414 -12.7581 -12.7581 -12.6396 -12.6396 -12.5982 -12.5982 -12.5027 -12.5027 -8.4500 -8.4500 -3.1026 -3.1026 2.2982 2.2982 2.8062 2.8062 3.0543 3.0543 6.4795 6.4795 6.9841 6.9841 7.1895 7.1895 11.3269 11.3269 11.4929 11.4929 12.0450 12.0450 12.5513 12.5513 k = 0.2608-0.4376-0.8398 ( 2713 PWs) bands (ev): -31.6430 -31.6430 -31.6218 -31.6218 -13.0840 -13.0840 -13.0441 -13.0441 -12.7616 -12.7616 -12.6384 -12.6384 -12.6006 -12.6006 -12.5049 -12.5049 -8.4449 -8.4449 -3.0982 -3.0982 2.2943 2.2943 2.8120 2.8120 3.0163 3.0163 6.4888 6.4888 6.9715 6.9715 7.1936 7.1936 11.3726 11.3726 11.4788 11.4788 12.0194 12.0194 12.5385 12.5385 k = 0.2666-0.4473-0.8585 ( 2708 PWs) bands (ev): -31.6417 -31.6417 -31.6223 -31.6223 -13.0830 -13.0830 -13.0464 -13.0464 -12.7651 -12.7651 -12.6372 -12.6372 -12.6026 -12.6026 -12.5070 -12.5070 -8.4402 -8.4402 -3.0943 -3.0943 2.2938 2.2938 2.8166 2.8166 2.9788 2.9788 6.4996 6.4996 6.9566 6.9566 7.1989 7.1989 11.4208 11.4208 11.4660 11.4660 11.9898 11.9898 12.5273 12.5273 k = 0.2724-0.4570-0.8771 ( 2716 PWs) bands (ev): -31.6405 -31.6405 -31.6229 -31.6229 -13.0820 -13.0820 -13.0486 -13.0486 -12.7685 -12.7685 -12.6361 -12.6361 -12.6043 -12.6043 -12.5091 -12.5091 -8.4359 -8.4359 -3.0907 -3.0907 2.2967 2.2967 2.8191 2.8191 2.9427 2.9427 6.5117 6.5117 6.9399 6.9399 7.2049 7.2049 11.4540 11.4540 11.4719 11.4719 11.9560 11.9560 12.5179 12.5179 k = 0.2782-0.4667-0.8958 ( 2712 PWs) bands (ev): -31.6393 -31.6393 -31.6234 -31.6234 -13.0809 -13.0809 -13.0505 -13.0505 -12.7719 -12.7719 -12.6351 -12.6351 -12.6055 -12.6055 -12.5110 -12.5110 -8.4321 -8.4321 -3.0875 -3.0875 2.3028 2.3028 2.8179 2.8179 2.9098 2.9098 6.5251 6.5251 6.9218 6.9218 7.2113 7.2113 11.4437 11.4437 11.5247 11.5247 11.9183 11.9183 12.5103 12.5103 k = 0.2840-0.4765-0.9145 ( 2712 PWs) bands (ev): -31.6381 -31.6381 -31.6240 -31.6240 -13.0799 -13.0799 -13.0522 -13.0522 -12.7751 -12.7751 -12.6343 -12.6343 -12.6062 -12.6062 -12.5128 -12.5128 -8.4287 -8.4287 -3.0846 -3.0846 2.3122 2.3122 2.8089 2.8089 2.8843 2.8843 6.5398 6.5398 6.9026 6.9026 7.2178 7.2178 11.4344 11.4344 11.5799 11.5799 11.8765 11.8765 12.5048 12.5048 k = 0.2898-0.4862-0.9331 ( 2710 PWs) bands (ev): -31.6370 -31.6370 -31.6247 -31.6247 -13.0788 -13.0788 -13.0538 -13.0538 -12.7781 -12.7781 -12.6339 -12.6339 -12.6065 -12.6065 -12.5144 -12.5144 -8.4258 -8.4258 -3.0822 -3.0822 2.3247 2.3247 2.7879 2.7879 2.8703 2.8703 6.5557 6.5557 6.8824 6.8824 7.2243 7.2243 11.4260 11.4260 11.6370 11.6370 11.8308 11.8308 12.5014 12.5014 k = 0.2956-0.4959-0.9518 ( 2706 PWs) bands (ev): -31.6359 -31.6359 -31.6253 -31.6253 -13.0778 -13.0778 -13.0552 -13.0552 -12.7809 -12.7809 -12.6336 -12.6336 -12.6062 -12.6062 -12.5159 -12.5159 -8.4233 -8.4233 -3.0801 -3.0801 2.3404 2.3404 2.7577 2.7577 2.8652 2.8652 6.5728 6.5728 6.8616 6.8616 7.2306 7.2306 11.4186 11.4186 11.6960 11.6960 11.7814 11.7814 12.5002 12.5002 k = 0.3014-0.5056-0.9705 ( 2706 PWs) bands (ev): -31.6349 -31.6349 -31.6260 -31.6260 -13.0768 -13.0768 -13.0564 -13.0564 -12.7834 -12.7834 -12.6337 -12.6337 -12.6056 -12.6056 -12.5172 -12.5172 -8.4212 -8.4212 -3.0783 -3.0783 2.3590 2.3590 2.7234 2.7234 2.8641 2.8641 6.5911 6.5911 6.8402 6.8402 7.2366 7.2366 11.4120 11.4120 11.7279 11.7279 11.7571 11.7571 12.5013 12.5013 k = 0.3072-0.5154-0.9891 ( 2708 PWs) bands (ev): -31.6339 -31.6339 -31.6267 -31.6267 -13.0758 -13.0758 -13.0576 -13.0576 -12.7857 -12.7857 -12.6340 -12.6340 -12.6047 -12.6047 -12.5183 -12.5183 -8.4195 -8.4195 -3.0769 -3.0769 2.3805 2.3805 2.6878 2.6878 2.8642 2.8642 6.6105 6.6105 6.8185 6.8185 7.2422 7.2422 11.4059 11.4059 11.6721 11.6721 11.8190 11.8190 12.5047 12.5047 k = 0.3130-0.5251-1.0078 ( 2710 PWs) bands (ev): -31.6330 -31.6330 -31.6274 -31.6274 -13.0750 -13.0750 -13.0587 -13.0587 -12.7875 -12.7875 -12.6344 -12.6344 -12.6036 -12.6036 -12.5192 -12.5192 -8.4182 -8.4182 -3.0758 -3.0758 2.4044 2.4044 2.6520 2.6520 2.8648 2.8648 6.6310 6.6310 6.7964 6.7964 7.2474 7.2474 11.3998 11.3998 11.6137 11.6137 11.8823 11.8823 12.5105 12.5105 k = 0.3188-0.5348-1.0264 ( 2706 PWs) bands (ev): -31.6321 -31.6321 -31.6281 -31.6281 -13.0743 -13.0743 -13.0597 -13.0597 -12.7890 -12.7890 -12.6349 -12.6349 -12.6023 -12.6023 -12.5198 -12.5198 -8.4173 -8.4173 -3.0750 -3.0750 2.4305 2.4305 2.6168 2.6168 2.8654 2.8654 6.6525 6.6525 6.7743 6.7743 7.2521 7.2521 11.3922 11.3922 11.5546 11.5546 11.9466 11.9466 12.5187 12.5187 k = 0.3246-0.5445-1.0451 ( 2714 PWs) bands (ev): -31.6312 -31.6312 -31.6289 -31.6289 -13.0739 -13.0739 -13.0606 -13.0606 -12.7901 -12.7901 -12.6354 -12.6354 -12.6009 -12.6009 -12.5202 -12.5202 -8.4168 -8.4168 -3.0746 -3.0746 2.4573 2.4573 2.5838 2.5838 2.8658 2.8658 6.6750 6.6750 6.7521 6.7521 7.2563 7.2563 11.3794 11.3794 11.4988 11.4988 12.0115 12.0115 12.5294 12.5294 k = 0.3304-0.5542-1.0638 ( 2714 PWs) bands (ev): -31.6304 -31.6304 -31.6296 -31.6296 -13.0736 -13.0736 -13.0613 -13.0613 -12.7908 -12.7908 -12.6359 -12.6359 -12.5996 -12.5996 -12.5202 -12.5202 -8.4167 -8.4167 -3.0744 -3.0744 2.4797 2.4797 2.5580 2.5580 2.8659 2.8659 6.6983 6.6983 6.7299 6.7299 7.2600 7.2600 11.3516 11.3516 11.4564 11.4564 12.0767 12.0767 12.5429 12.5429 k = 0.3362-0.5640-1.0824 ( 2716 PWs) bands (ev): -31.6304 -31.6304 -31.6296 -31.6296 -13.0738 -13.0738 -13.0619 -13.0619 -12.7909 -12.7909 -12.6365 -12.6365 -12.5983 -12.5983 -12.5200 -12.5200 -8.4169 -8.4169 -3.0744 -3.0744 2.4800 2.4800 2.5571 2.5571 2.8658 2.8658 6.7076 6.7076 6.7229 6.7229 7.2632 7.2632 11.3013 11.3013 11.4353 11.4353 12.1418 12.1418 12.5593 12.5593 k = 0.3420-0.5737-1.1011 ( 2712 PWs) bands (ev): -31.6312 -31.6312 -31.6289 -31.6289 -13.0743 -13.0743 -13.0622 -13.0622 -12.7906 -12.7906 -12.6370 -12.6370 -12.5970 -12.5970 -12.5195 -12.5195 -8.4174 -8.4174 -3.0747 -3.0747 2.4560 2.4560 2.5832 2.5832 2.8653 2.8653 6.6858 6.6858 6.7479 6.7479 7.2660 7.2660 11.2367 11.2367 11.4276 11.4276 12.2060 12.2060 12.5790 12.5790 k = 0.6580-0.4360-1.0176 ( 2712 PWs) bands (ev): -31.6312 -31.6312 -31.6289 -31.6289 -13.0743 -13.0743 -13.0622 -13.0622 -12.7906 -12.7906 -12.6370 -12.6370 -12.5970 -12.5970 -12.5195 -12.5195 -8.4174 -8.4174 -3.0747 -3.0747 2.4560 2.4560 2.5832 2.5832 2.8653 2.8653 6.6858 6.6858 6.7479 6.7479 7.2660 7.2660 11.2367 11.2367 11.4276 11.4276 12.2060 12.2060 12.5790 12.5790 k = 0.6524-0.4155-1.0176 ( 2704 PWs) bands (ev): -31.6319 -31.6319 -31.6282 -31.6282 -13.0751 -13.0751 -13.0624 -13.0624 -12.7898 -12.7898 -12.6374 -12.6374 -12.5958 -12.5958 -12.5187 -12.5187 -8.4182 -8.4182 -3.0752 -3.0752 2.4261 2.4261 2.6177 2.6177 2.8647 2.8647 6.6648 6.6648 6.7731 6.7731 7.2683 7.2683 11.1677 11.1677 11.4256 11.4256 12.2671 12.2671 12.6018 12.6018 k = 0.6467-0.3950-1.0176 ( 2700 PWs) bands (ev): -31.6327 -31.6327 -31.6276 -31.6276 -13.0763 -13.0763 -13.0624 -13.0624 -12.7886 -12.7886 -12.6379 -12.6379 -12.5947 -12.5947 -12.5176 -12.5176 -8.4192 -8.4192 -3.0758 -3.0758 2.3950 2.3950 2.6556 2.6556 2.8641 2.8641 6.6441 6.6441 6.7990 6.7990 7.2702 7.2702 11.0957 11.0957 11.4262 11.4262 12.3258 12.3258 12.6289 12.6289 k = 0.6411-0.3745-1.0176 ( 2706 PWs) bands (ev): -31.6334 -31.6334 -31.6270 -31.6270 -13.0779 -13.0779 -13.0625 -13.0625 -12.7870 -12.7870 -12.6384 -12.6384 -12.5936 -12.5936 -12.5163 -12.5163 -8.4205 -8.4205 -3.0767 -3.0767 2.3638 2.3638 2.6955 2.6955 2.8635 2.8635 6.6238 6.6238 6.8255 6.8255 7.2716 7.2716 11.0219 11.0219 11.4284 11.4284 12.3813 12.3813 12.6609 12.6609 k = 0.6354-0.3540-1.0176 ( 2708 PWs) bands (ev): -31.6342 -31.6342 -31.6265 -31.6265 -13.0797 -13.0797 -13.0625 -13.0625 -12.7849 -12.7849 -12.6390 -12.6390 -12.5926 -12.5926 -12.5148 -12.5148 -8.4220 -8.4220 -3.0777 -3.0777 2.3330 2.3330 2.7361 2.7361 2.8637 2.8637 6.6038 6.6038 6.8526 6.8526 7.2727 7.2727 10.9472 10.9472 11.4318 11.4318 12.4325 12.4325 12.6985 12.6985 k = 0.6298-0.3335-1.0176 ( 2704 PWs) bands (ev): -31.6349 -31.6349 -31.6259 -31.6259 -13.0816 -13.0816 -13.0625 -13.0625 -12.7823 -12.7823 -12.6395 -12.6395 -12.5915 -12.5915 -12.5131 -12.5131 -8.4237 -8.4237 -3.0788 -3.0788 2.3030 2.3030 2.7756 2.7756 2.8661 2.8661 6.5844 6.5844 6.8802 6.8802 7.2735 7.2735 10.8720 10.8720 11.4360 11.4360 12.4791 12.4791 12.7421 12.7421 k = 0.6242-0.3130-1.0176 ( 2700 PWs) bands (ev): -31.6357 -31.6357 -31.6255 -31.6255 -13.0838 -13.0838 -13.0625 -13.0625 -12.7794 -12.7794 -12.6402 -12.6402 -12.5905 -12.5905 -12.5112 -12.5112 -8.4256 -8.4256 -3.0800 -3.0800 2.2737 2.2737 2.8089 2.8089 2.8755 2.8755 6.5655 6.5655 6.9082 6.9082 7.2740 7.2740 10.7968 10.7968 11.4409 11.4409 12.5211 12.5211 12.7912 12.7912 k = 0.6185-0.2926-1.0176 ( 2700 PWs) bands (ev): -31.6364 -31.6364 -31.6250 -31.6250 -13.0860 -13.0860 -13.0626 -13.0626 -12.7761 -12.7761 -12.6408 -12.6408 -12.5895 -12.5895 -12.5091 -12.5091 -8.4276 -8.4276 -3.0814 -3.0814 2.2453 2.2453 2.8271 2.8271 2.9006 2.9006 6.5472 6.5472 6.9366 6.9366 7.2742 7.2742 10.7218 10.7218 11.4462 11.4462 12.5594 12.5594 12.8449 12.8449 k = 0.6129-0.2721-1.0176 ( 2702 PWs) bands (ev): -31.6371 -31.6371 -31.6246 -31.6246 -13.0884 -13.0884 -13.0628 -13.0628 -12.7726 -12.7726 -12.6416 -12.6416 -12.5885 -12.5885 -12.5070 -12.5070 -8.4298 -8.4298 -3.0828 -3.0828 2.2178 2.2178 2.8324 2.8324 2.9390 2.9390 6.5294 6.5294 6.9652 6.9652 7.2742 7.2742 10.6473 10.6473 11.4520 11.4520 12.5948 12.5948 12.9019 12.9019 k = 0.6072-0.2516-1.0176 ( 2708 PWs) bands (ev): -31.6378 -31.6378 -31.6242 -31.6242 -13.0909 -13.0909 -13.0631 -13.0631 -12.7687 -12.7687 -12.6424 -12.6424 -12.5875 -12.5875 -12.5047 -12.5047 -8.4320 -8.4320 -3.0842 -3.0842 2.1913 2.1913 2.8327 2.8327 2.9827 2.9827 6.5124 6.5124 6.9940 6.9940 7.2739 7.2739 10.5737 10.5737 11.4579 11.4579 12.6285 12.6285 12.9610 12.9610 k = 0.6016-0.2311-1.0176 ( 2710 PWs) bands (ev): -31.6385 -31.6385 -31.6239 -31.6239 -13.0934 -13.0934 -13.0634 -13.0634 -12.7646 -12.7646 -12.6433 -12.6433 -12.5864 -12.5864 -12.5023 -12.5023 -8.4344 -8.4344 -3.0857 -3.0857 2.1659 2.1659 2.8311 2.8311 3.0281 3.0281 6.4960 6.4960 7.0229 7.0229 7.2735 7.2735 10.5012 10.5012 11.4640 11.4640 12.6612 12.6612 13.0209 13.0209 k = 0.5959-0.2106-1.0176 ( 2708 PWs) bands (ev): -31.6392 -31.6392 -31.6235 -31.6235 -13.0960 -13.0960 -13.0638 -13.0638 -12.7604 -12.7604 -12.6443 -12.6443 -12.5854 -12.5854 -12.4999 -12.4999 -8.4367 -8.4367 -3.0872 -3.0872 2.1417 2.1417 2.8286 2.8286 3.0741 3.0741 6.4803 6.4803 7.0518 7.0518 7.2730 7.2730 10.4301 10.4301 11.4701 11.4701 12.6937 12.6937 13.0807 13.0808 k = 0.5903-0.1901-1.0176 ( 2700 PWs) bands (ev): -31.6398 -31.6398 -31.6232 -31.6232 -13.0985 -13.0985 -13.0642 -13.0642 -12.7559 -12.7559 -12.6452 -12.6452 -12.5844 -12.5844 -12.4974 -12.4974 -8.4391 -8.4391 -3.0888 -3.0888 2.1185 2.1185 2.8257 2.8257 3.1199 3.1199 6.4654 6.4654 7.0805 7.0805 7.2723 7.2723 10.3606 10.3606 11.4760 11.4760 12.7264 12.7264 13.0912 13.0912 k = 0.5847-0.1696-1.0176 ( 2700 PWs) bands (ev): -31.6404 -31.6404 -31.6229 -31.6229 -13.1011 -13.1011 -13.0647 -13.0647 -12.7514 -12.7514 -12.6462 -12.6462 -12.5834 -12.5834 -12.4950 -12.4950 -8.4415 -8.4415 -3.0903 -3.0903 2.0966 2.0966 2.8225 2.8225 3.1653 3.1653 6.4513 6.4513 7.1089 7.1089 7.2715 7.2715 10.2929 10.2929 11.4817 11.4817 12.7596 12.7596 13.0584 13.0584 k = 0.5790-0.1491-1.0176 ( 2700 PWs) bands (ev): -31.6410 -31.6410 -31.6227 -31.6227 -13.1036 -13.1036 -13.0652 -13.0652 -12.7469 -12.7469 -12.6473 -12.6473 -12.5825 -12.5825 -12.4925 -12.4925 -8.4439 -8.4439 -3.0918 -3.0918 2.0759 2.0759 2.8192 2.8192 3.2096 3.2096 6.4380 6.4380 7.1369 7.1369 7.2707 7.2707 10.2275 10.2275 11.4870 11.4870 12.7936 12.7936 13.0247 13.0247 k = 0.5734-0.1286-1.0176 ( 2702 PWs) bands (ev): -31.6416 -31.6416 -31.6225 -31.6225 -13.1060 -13.1060 -13.0657 -13.0657 -12.7424 -12.7424 -12.6484 -12.6484 -12.5816 -12.5816 -12.4901 -12.4901 -8.4462 -8.4462 -3.0932 -3.0932 2.0565 2.0565 2.8159 2.8159 3.2527 3.2527 6.4255 6.4255 7.1643 7.1643 7.2699 7.2699 10.1645 10.1645 11.4919 11.4919 12.8286 12.8286 12.9907 12.9907 k = 0.5677-0.1082-1.0176 ( 2708 PWs) bands (ev): -31.6421 -31.6421 -31.6223 -31.6223 -13.1083 -13.1083 -13.0663 -13.0663 -12.7379 -12.7379 -12.6495 -12.6495 -12.5808 -12.5808 -12.4878 -12.4878 -8.4485 -8.4485 -3.0946 -3.0946 2.0383 2.0383 2.8126 2.8126 3.2942 3.2942 6.4139 6.4139 7.1908 7.1908 7.2691 7.2691 10.1042 10.1042 11.4963 11.4963 12.8646 12.8646 12.9570 12.9570 k = 0.5621-0.0877-1.0176 ( 2706 PWs) bands (ev): -31.6426 -31.6426 -31.6221 -31.6221 -13.1105 -13.1105 -13.0668 -13.0668 -12.7336 -12.7336 -12.6506 -12.6506 -12.5800 -12.5800 -12.4855 -12.4855 -8.4506 -8.4506 -3.0960 -3.0960 2.0215 2.0215 2.8094 2.8094 3.3338 3.3338 6.4031 6.4031 7.2164 7.2164 7.2684 7.2684 10.0470 10.0470 11.5001 11.5001 12.9017 12.9017 12.9247 12.9247 k = 0.5564-0.0672-1.0176 ( 2706 PWs) bands (ev): -31.6430 -31.6430 -31.6219 -31.6219 -13.1126 -13.1126 -13.0673 -13.0673 -12.7293 -12.7293 -12.6516 -12.6516 -12.5793 -12.5793 -12.4834 -12.4834 -8.4527 -8.4527 -3.0973 -3.0973 2.0061 2.0061 2.8063 2.8063 3.3711 3.3711 6.3932 6.3932 7.2405 7.2405 7.2680 7.2680 9.9931 9.9931 11.5032 11.5032 12.8929 12.8929 12.9409 12.9409 k = 0.5508-0.0467-1.0176 ( 2712 PWs) bands (ev): -31.6435 -31.6435 -31.6218 -31.6218 -13.1146 -13.1146 -13.0678 -13.0678 -12.7253 -12.7253 -12.6527 -12.6527 -12.5787 -12.5787 -12.4814 -12.4814 -8.4546 -8.4546 -3.0984 -3.0984 1.9920 1.9920 2.8033 2.8033 3.4060 3.4060 6.3843 6.3843 7.2601 7.2601 7.2708 7.2708 9.9429 9.9429 11.5057 11.5057 12.8638 12.8638 12.9806 12.9806 k = 0.5451-0.0262-1.0176 ( 2706 PWs) bands (ev): -31.6438 -31.6438 -31.6216 -31.6216 -13.1164 -13.1164 -13.0682 -13.0682 -12.7215 -12.7215 -12.6537 -12.6537 -12.5781 -12.5781 -12.4796 -12.4796 -8.4564 -8.4564 -3.0995 -3.0995 1.9794 1.9794 2.8006 2.8006 3.4380 3.4380 6.3762 6.3762 7.2640 7.2640 7.2877 7.2877 9.8968 9.8968 11.5077 11.5077 12.8370 12.8370 13.0216 13.0216 k = 0.5395-0.0057-1.0176 ( 2704 PWs) bands (ev): -31.6442 -31.6442 -31.6215 -31.6215 -13.1180 -13.1180 -13.0687 -13.0687 -12.7180 -12.7180 -12.6547 -12.6547 -12.5776 -12.5776 -12.4779 -12.4779 -8.4580 -8.4580 -3.1005 -3.1005 1.9682 1.9682 2.7981 2.7981 3.4670 3.4670 6.3690 6.3690 7.2639 7.2639 7.3070 7.3070 9.8550 9.8550 11.5090 11.5090 12.8130 12.8130 13.0638 13.0638 k = 0.5339 0.0148-1.0176 ( 2700 PWs) bands (ev): -31.6444 -31.6444 -31.6214 -31.6214 -13.1193 -13.1193 -13.0691 -13.0691 -12.7149 -12.7149 -12.6556 -12.6556 -12.5772 -12.5772 -12.4763 -12.4763 -8.4594 -8.4594 -3.1014 -3.1014 1.9585 1.9585 2.7959 2.7959 3.4927 3.4927 6.3628 6.3628 7.2634 7.2634 7.3246 7.3246 9.8179 9.8179 11.5099 11.5099 12.7919 12.7919 13.1069 13.1069 k = 0.5282 0.0353-1.0176 ( 2698 PWs) bands (ev): -31.6447 -31.6447 -31.6213 -31.6213 -13.1206 -13.1206 -13.0694 -13.0694 -12.7121 -12.7121 -12.6565 -12.6565 -12.5769 -12.5769 -12.4750 -12.4750 -8.4606 -8.4606 -3.1021 -3.1021 1.9502 1.9502 2.7940 2.7940 3.5148 3.5148 6.3576 6.3576 7.2629 7.2629 7.3401 7.3401 9.7859 9.7859 11.5104 11.5104 12.7739 12.7739 13.1507 13.1507 k = 0.5226 0.0558-1.0176 ( 2696 PWs) bands (ev): -31.6449 -31.6449 -31.6213 -31.6213 -13.1216 -13.1216 -13.0697 -13.0697 -12.7097 -12.7097 -12.6572 -12.6572 -12.5766 -12.5766 -12.4739 -12.4739 -8.4616 -8.4616 -3.1027 -3.1027 1.9434 1.9434 2.7924 2.7924 3.5332 3.5332 6.3533 6.3533 7.2625 7.2625 7.3532 7.3532 9.7593 9.7593 11.5106 11.5106 12.7591 12.7591 13.1949 13.1949 k = 0.5169 0.0763-1.0176 ( 2692 PWs) bands (ev): -31.6451 -31.6451 -31.6212 -31.6212 -13.1223 -13.1223 -13.0699 -13.0699 -12.7078 -12.7078 -12.6578 -12.6578 -12.5764 -12.5764 -12.4731 -12.4731 -8.4624 -8.4624 -3.1032 -3.1032 1.9381 1.9381 2.7911 2.7911 3.5477 3.5477 6.3499 6.3499 7.2621 7.2621 7.3636 7.3636 9.7382 9.7382 11.5106 11.5106 12.7476 12.7476 13.2390 13.2390 k = 0.5113 0.0967-1.0176 ( 2694 PWs) bands (ev): -31.6452 -31.6452 -31.6212 -31.6212 -13.1229 -13.1229 -13.0701 -13.0701 -12.7064 -12.7064 -12.6582 -12.6582 -12.5762 -12.5762 -12.4725 -12.4725 -8.4630 -8.4630 -3.1036 -3.1036 1.9343 1.9343 2.7902 2.7902 3.5581 3.5581 6.3475 6.3475 7.2619 7.2619 7.3711 7.3711 9.7230 9.7230 11.5106 11.5106 12.7394 12.7394 13.2821 13.2821 k = 0.5056 0.1172-1.0176 ( 2688 PWs) bands (ev): -31.6452 -31.6452 -31.6212 -31.6212 -13.1232 -13.1232 -13.0702 -13.0702 -12.7056 -12.7056 -12.6585 -12.6585 -12.5761 -12.5761 -12.4721 -12.4721 -8.4633 -8.4633 -3.1038 -3.1038 1.9320 1.9320 2.7897 2.7897 3.5644 3.5644 6.3461 6.3461 7.2617 7.2617 7.3757 7.3757 9.7138 9.7138 11.5105 11.5105 12.7345 12.7345 13.3221 13.3221 k = 0.5000 0.1377-1.0176 ( 2688 PWs) bands (ev): -31.6453 -31.6453 -31.6212 -31.6212 -13.1233 -13.1233 -13.0702 -13.0702 -12.7053 -12.7053 -12.6586 -12.6586 -12.5761 -12.5761 -12.4719 -12.4719 -8.4634 -8.4634 -3.1038 -3.1038 1.9313 1.9313 2.7895 2.7895 3.5665 3.5665 6.3456 6.3456 7.2617 7.2617 7.3772 7.3772 9.7107 9.7107 11.5105 11.5105 12.7329 12.7329 13.3460 13.3460 k = 0.5000 0.1377-1.0176 ( 2688 PWs) bands (ev): -31.6453 -31.6453 -31.6212 -31.6212 -13.1233 -13.1233 -13.0702 -13.0702 -12.7053 -12.7053 -12.6586 -12.6586 -12.5761 -12.5761 -12.4719 -12.4719 -8.4634 -8.4634 -3.1038 -3.1038 1.9313 1.9313 2.7895 2.7895 3.5665 3.5665 6.3456 6.3456 7.2617 7.2617 7.3772 7.3772 9.7107 9.7107 11.5105 11.5105 12.7329 12.7329 13.3460 13.3460 k = 0.5176 0.1426-1.0083 ( 2690 PWs) bands (ev): -31.6453 -31.6453 -31.6212 -31.6212 -13.1233 -13.1233 -13.0702 -13.0702 -12.7053 -12.7053 -12.6586 -12.6586 -12.5761 -12.5761 -12.4720 -12.4720 -8.4634 -8.4634 -3.1039 -3.1039 1.9316 1.9316 2.7895 2.7895 3.5666 3.5666 6.3449 6.3449 7.2612 7.2612 7.3771 7.3771 9.7123 9.7123 11.5115 11.5115 12.7320 12.7320 13.3451 13.3451 k = 0.5351 0.1474-0.9990 ( 2685 PWs) bands (ev): -31.6453 -31.6453 -31.6211 -31.6211 -13.1231 -13.1231 -13.0700 -13.0700 -12.7052 -12.7052 -12.6587 -12.6587 -12.5762 -12.5762 -12.4721 -12.4721 -8.4634 -8.4634 -3.1040 -3.1040 1.9326 1.9326 2.7894 2.7894 3.5668 3.5668 6.3428 6.3428 7.2600 7.2600 7.3769 7.3769 9.7169 9.7169 11.5146 11.5146 12.7294 12.7294 13.3423 13.3423 k = 0.5527 0.1522-0.9897 ( 2688 PWs) bands (ev): -31.6453 -31.6453 -31.6211 -31.6211 -13.1227 -13.1227 -13.0699 -13.0699 -12.7053 -12.7053 -12.6588 -12.6588 -12.5764 -12.5764 -12.4722 -12.4722 -8.4634 -8.4634 -3.1042 -3.1042 1.9343 1.9343 2.7892 2.7892 3.5671 3.5671 6.3394 6.3394 7.2579 7.2579 7.3766 7.3766 9.7245 9.7245 11.5195 11.5195 12.7252 12.7252 13.3368 13.3368 k = 0.5702 0.1571-0.9804 ( 2691 PWs) bands (ev): -31.6453 -31.6453 -31.6211 -31.6211 -13.1222 -13.1222 -13.0696 -13.0696 -12.7053 -12.7053 -12.6590 -12.6590 -12.5766 -12.5766 -12.4725 -12.4725 -8.4634 -8.4634 -3.1045 -3.1045 1.9367 1.9367 2.7890 2.7890 3.5675 3.5675 6.3347 6.3347 7.2550 7.2550 7.3761 7.3761 9.7352 9.7352 11.5263 11.5263 12.7200 12.7200 13.3274 13.3274 k = 0.5878 0.1619-0.9712 ( 2693 PWs) bands (ev): -31.6454 -31.6454 -31.6212 -31.6212 -13.1216 -13.1216 -13.0693 -13.0693 -12.7054 -12.7054 -12.6591 -12.6591 -12.5769 -12.5769 -12.4727 -12.4727 -8.4634 -8.4634 -3.1049 -3.1049 1.9397 1.9397 2.7888 2.7888 3.5680 3.5680 6.3288 6.3288 7.2513 7.2513 7.3755 7.3755 9.7487 9.7487 11.5348 11.5348 12.7139 12.7139 13.3131 13.3131 k = 0.6053 0.1667-0.9619 ( 2697 PWs) bands (ev): -31.6454 -31.6454 -31.6212 -31.6212 -13.1209 -13.1209 -13.0690 -13.0690 -12.7054 -12.7054 -12.6593 -12.6593 -12.5773 -12.5773 -12.4730 -12.4730 -8.4634 -8.4634 -3.1053 -3.1053 1.9434 1.9434 2.7885 2.7885 3.5686 3.5686 6.3217 6.3217 7.2469 7.2469 7.3747 7.3747 9.7651 9.7651 11.5448 11.5448 12.7076 12.7076 13.2927 13.2927 k = 0.6229 0.1716-0.9526 ( 2699 PWs) bands (ev): -31.6455 -31.6455 -31.6212 -31.6212 -13.1200 -13.1200 -13.0685 -13.0685 -12.7055 -12.7055 -12.6595 -12.6595 -12.5777 -12.5777 -12.4734 -12.4734 -8.4634 -8.4634 -3.1058 -3.1058 1.9476 1.9476 2.7882 2.7882 3.5694 3.5694 6.3136 6.3136 7.2419 7.2419 7.3739 7.3739 9.7843 9.7843 11.5561 11.5561 12.7012 12.7012 13.2656 13.2656 k = 0.6405 0.1764-0.9433 ( 2699 PWs) bands (ev): -31.6455 -31.6455 -31.6212 -31.6212 -13.1190 -13.1190 -13.0680 -13.0680 -12.7056 -12.7056 -12.6598 -12.6598 -12.5781 -12.5781 -12.4738 -12.4738 -8.4634 -8.4634 -3.1064 -3.1064 1.9523 1.9523 2.7879 2.7879 3.5702 3.5702 6.3046 6.3046 7.2363 7.2363 7.3729 7.3729 9.8062 9.8062 11.5684 11.5684 12.6953 12.6953 13.2317 13.2317 k = 0.6580 0.1812-0.9340 ( 2705 PWs) bands (ev): -31.6456 -31.6456 -31.6212 -31.6212 -13.1180 -13.1180 -13.0675 -13.0675 -12.7058 -12.7058 -12.6600 -12.6600 -12.5786 -12.5786 -12.4742 -12.4742 -8.4635 -8.4635 -3.1071 -3.1071 1.9576 1.9576 2.7875 2.7875 3.5712 3.5712 6.2949 6.2949 7.2302 7.2302 7.3719 7.3719 9.8306 9.8306 11.5815 11.5815 12.6901 12.6901 13.1916 13.1916 k = 0.6580 0.1812-0.9340 ( 2705 PWs) bands (ev): -31.6456 -31.6456 -31.6212 -31.6212 -13.1180 -13.1180 -13.0675 -13.0675 -12.7058 -12.7058 -12.6600 -12.6600 -12.5786 -12.5786 -12.4742 -12.4742 -8.4635 -8.4635 -3.1071 -3.1071 1.9576 1.9576 2.7875 2.7875 3.5712 3.5712 6.2949 6.2949 7.2302 7.2302 7.3719 7.3719 9.8306 9.8306 11.5815 11.5815 12.6901 12.6901 13.1916 13.1916 k = 0.6547 0.1803-0.9124 ( 2710 PWs) bands (ev): -31.6461 -31.6461 -31.6211 -31.6211 -13.1176 -13.1176 -13.0664 -13.0664 -12.7057 -12.7057 -12.6599 -12.6599 -12.5774 -12.5774 -12.4741 -12.4741 -8.4655 -8.4655 -3.1084 -3.1084 1.9681 1.9681 2.7823 2.7823 3.5736 3.5736 6.3047 6.3047 7.2275 7.2275 7.3728 7.3728 9.8239 9.8239 11.5793 11.5793 12.6879 12.6879 13.2065 13.2065 k = 0.6513 0.1794-0.8907 ( 2714 PWs) bands (ev): -31.6466 -31.6466 -31.6209 -31.6209 -13.1170 -13.1170 -13.0649 -13.0649 -12.7057 -12.7057 -12.6596 -12.6596 -12.5759 -12.5759 -12.4739 -12.4739 -8.4680 -8.4680 -3.1103 -3.1103 1.9820 1.9820 2.7762 2.7762 3.5768 3.5768 6.3159 6.3159 7.2229 7.2229 7.3735 7.3735 9.8205 9.8205 11.5753 11.5753 12.6861 12.6861 13.2219 13.2222 k = 0.6479 0.1785-0.8691 ( 2712 PWs) bands (ev): -31.6473 -31.6473 -31.6207 -31.6207 -13.1161 -13.1161 -13.0631 -13.0631 -12.7056 -12.7056 -12.6591 -12.6591 -12.5743 -12.5743 -12.4737 -12.4737 -8.4711 -8.4711 -3.1127 -3.1127 1.9992 1.9992 2.7694 2.7694 3.5808 3.5808 6.3284 6.3284 7.2161 7.2161 7.3740 7.3740 9.8206 9.8206 11.5697 11.5697 12.6846 12.6846 13.1907 13.1907 k = 0.6446 0.1775-0.8474 ( 2714 PWs) bands (ev): -31.6481 -31.6481 -31.6205 -31.6205 -13.1150 -13.1150 -13.0610 -13.0610 -12.7055 -12.7055 -12.6585 -12.6585 -12.5726 -12.5726 -12.4733 -12.4733 -8.4748 -8.4748 -3.1156 -3.1156 2.0197 2.0197 2.7619 2.7619 3.5857 3.5857 6.3424 6.3424 7.2073 7.2073 7.3744 7.3744 9.8240 9.8240 11.5629 11.5629 12.6832 12.6832 13.1527 13.1527 k = 0.6412 0.1766-0.8258 ( 2724 PWs) bands (ev): -31.6490 -31.6490 -31.6203 -31.6203 -13.1139 -13.1139 -13.0586 -13.0586 -12.7055 -12.7055 -12.6577 -12.6577 -12.5707 -12.5707 -12.4730 -12.4730 -8.4790 -8.4790 -3.1191 -3.1191 2.0434 2.0434 2.7537 2.7537 3.5913 3.5913 6.3576 6.3576 7.1962 7.1962 7.3745 7.3745 9.8309 9.8309 11.5552 11.5552 12.6818 12.6818 13.1148 13.1148 k = 0.6378 0.1757-0.8041 ( 2727 PWs) bands (ev): -31.6501 -31.6501 -31.6201 -31.6201 -13.1125 -13.1125 -13.0558 -13.0558 -12.7054 -12.7054 -12.6567 -12.6567 -12.5687 -12.5687 -12.4725 -12.4725 -8.4837 -8.4837 -3.1231 -3.1231 2.0702 2.0702 2.7450 2.7450 3.5977 3.5977 6.3742 6.3742 7.1830 7.1830 7.3745 7.3745 9.8413 9.8413 11.5470 11.5470 12.6800 12.6800 13.0772 13.0772 k = 0.6345 0.1748-0.7825 ( 2729 PWs) bands (ev): -31.6512 -31.6512 -31.6199 -31.6199 -13.1111 -13.1111 -13.0526 -13.0526 -12.7052 -12.7052 -12.6555 -12.6555 -12.5665 -12.5665 -12.4720 -12.4720 -8.4889 -8.4889 -3.1275 -3.1275 2.1002 2.1002 2.7358 2.7358 3.6049 3.6049 6.3921 6.3921 7.1677 7.1677 7.3742 7.3742 9.8552 9.8552 11.5389 11.5389 12.6779 12.6779 13.0399 13.0399 k = 0.6311 0.1738-0.7608 ( 2732 PWs) bands (ev): -31.6523 -31.6523 -31.6197 -31.6197 -13.1097 -13.1097 -13.0490 -13.0490 -12.7050 -12.7050 -12.6542 -12.6542 -12.5642 -12.5642 -12.4715 -12.4715 -8.4946 -8.4946 -3.1325 -3.1325 2.1330 2.1330 2.7262 2.7262 3.6129 3.6129 6.4112 6.4112 7.1502 7.1502 7.3736 7.3736 9.8726 9.8726 11.5311 11.5311 12.6752 12.6752 13.0031 13.0031 k = 0.6278 0.1729-0.7392 ( 2730 PWs) bands (ev): -31.6536 -31.6536 -31.6196 -31.6196 -13.1082 -13.1082 -13.0450 -13.0450 -12.7048 -12.7048 -12.6526 -12.6526 -12.5617 -12.5617 -12.4709 -12.4709 -8.5007 -8.5007 -3.1380 -3.1380 2.1688 2.1688 2.7162 2.7162 3.6215 3.6215 6.4315 6.4315 7.1306 7.1306 7.3729 7.3729 9.8935 9.8935 11.5241 11.5241 12.6718 12.6718 12.9667 12.9667 k = 0.6244 0.1720-0.7175 ( 2730 PWs) bands (ev): -31.6549 -31.6549 -31.6194 -31.6194 -13.1068 -13.1068 -13.0406 -13.0406 -12.7045 -12.7045 -12.6508 -12.6508 -12.5592 -12.5592 -12.4703 -12.4703 -8.5073 -8.5073 -3.1439 -3.1439 2.2073 2.2073 2.7059 2.7059 3.6308 3.6308 6.4528 6.4528 7.1090 7.1090 7.3718 7.3718 9.9177 9.9177 11.5183 11.5183 12.6677 12.6677 12.9308 12.9308 k = 0.6210 0.1711-0.6959 ( 2734 PWs) bands (ev): -31.6562 -31.6562 -31.6192 -31.6192 -13.1055 -13.1055 -13.0358 -13.0358 -12.7042 -12.7042 -12.6489 -12.6489 -12.5565 -12.5565 -12.4697 -12.4697 -8.5142 -8.5142 -3.1502 -3.1502 2.2484 2.2484 2.6955 2.6955 3.6408 3.6408 6.4752 6.4752 7.0854 7.0854 7.3705 7.3705 9.9454 9.9454 11.5141 11.5141 12.6628 12.6628 12.8955 12.8955 k = 0.6177 0.1701-0.6742 ( 2730 PWs) bands (ev): -31.6576 -31.6576 -31.6191 -31.6191 -13.1042 -13.1042 -13.0307 -13.0307 -12.7037 -12.7037 -12.6467 -12.6467 -12.5536 -12.5536 -12.4690 -12.4690 -8.5215 -8.5215 -3.1570 -3.1570 2.2921 2.2921 2.6851 2.6851 3.6514 3.6514 6.4985 6.4985 7.0600 7.0600 7.3690 7.3690 9.9763 9.9763 11.5118 11.5118 12.6572 12.6572 12.8608 12.8608 k = 0.6143 0.1692-0.6526 ( 2732 PWs) bands (ev): -31.6590 -31.6590 -31.6190 -31.6190 -13.1030 -13.1030 -13.0252 -13.0252 -12.7032 -12.7032 -12.6444 -12.6444 -12.5507 -12.5507 -12.4684 -12.4684 -8.5291 -8.5291 -3.1642 -3.1642 2.3380 2.3380 2.6747 2.6747 3.6626 3.6626 6.5225 6.5225 7.0329 7.0329 7.3672 7.3672 10.0105 10.0105 11.5116 11.5116 12.6508 12.6508 12.8268 12.8268 k = 0.6109 0.1683-0.6309 ( 2732 PWs) bands (ev): -31.6605 -31.6605 -31.6189 -31.6189 -13.1020 -13.1020 -13.0195 -13.0195 -12.7026 -12.7026 -12.6419 -12.6419 -12.5476 -12.5476 -12.4677 -12.4677 -8.5370 -8.5370 -3.1718 -3.1718 2.3860 2.3860 2.6646 2.6646 3.6744 3.6744 6.5470 6.5470 7.0044 7.0044 7.3651 7.3651 10.0477 10.0477 11.5139 11.5139 12.6437 12.6437 12.7935 12.7935 k = 0.6076 0.1674-0.6093 ( 2734 PWs) bands (ev): -31.6620 -31.6620 -31.6189 -31.6189 -13.1011 -13.1011 -13.0135 -13.0135 -12.7020 -12.7020 -12.6392 -12.6392 -12.5444 -12.5444 -12.4670 -12.4670 -8.5452 -8.5452 -3.1797 -3.1797 2.4359 2.4359 2.6549 2.6549 3.6866 3.6866 6.5719 6.5719 6.9747 6.9747 7.3627 7.3627 10.0880 10.0880 11.5188 11.5188 12.6360 12.6360 12.7610 12.7610 k = 0.6042 0.1664-0.5876 ( 2732 PWs) bands (ev): -31.6635 -31.6635 -31.6189 -31.6189 -13.1003 -13.1003 -13.0072 -13.0072 -12.7012 -12.7012 -12.6362 -12.6362 -12.5412 -12.5412 -12.4664 -12.4664 -8.5536 -8.5536 -3.1881 -3.1881 2.4868 2.4868 2.6465 2.6465 3.6994 3.6994 6.5966 6.5966 6.9444 6.9444 7.3601 7.3601 10.1311 10.1311 11.5266 11.5266 12.6277 12.6277 12.7293 12.7293 k = 0.6009 0.1655-0.5660 ( 2734 PWs) bands (ev): -31.6650 -31.6650 -31.6189 -31.6189 -13.0996 -13.0996 -13.0008 -13.0008 -12.7003 -12.7003 -12.6332 -12.6332 -12.5378 -12.5378 -12.4657 -12.4657 -8.5622 -8.5622 -3.1967 -3.1967 2.5369 2.5369 2.6409 2.6409 3.7125 3.7125 6.6205 6.6205 6.9141 6.9141 7.3572 7.3572 10.1769 10.1769 11.5372 11.5372 12.6189 12.6189 12.6984 12.6984 k = 0.5975 0.1646-0.5443 ( 2738 PWs) bands (ev): -31.6666 -31.6666 -31.6189 -31.6189 -13.0991 -13.0991 -12.9942 -12.9942 -12.6993 -12.6993 -12.6299 -12.6299 -12.5343 -12.5343 -12.4651 -12.4651 -8.5709 -8.5709 -3.2057 -3.2057 2.5781 2.5781 2.6463 2.6463 3.7260 3.7260 6.6425 6.6425 6.8850 6.8850 7.3540 7.3540 10.2253 10.2253 11.5509 11.5509 12.6094 12.6094 12.6684 12.6684 k = 0.5941 0.1636-0.5227 ( 2742 PWs) bands (ev): -31.6681 -31.6681 -31.6190 -31.6190 -13.0988 -13.0988 -12.9876 -12.9876 -12.6982 -12.6982 -12.6265 -12.6265 -12.5308 -12.5308 -12.4645 -12.4645 -8.5798 -8.5798 -3.2149 -3.2149 2.5931 2.5931 2.6800 2.6800 3.7399 3.7399 6.6602 6.6602 6.8594 6.8594 7.3506 7.3506 10.2761 10.2761 11.5677 11.5677 12.5992 12.5992 12.6393 12.6393 k = 0.5908 0.1627-0.5010 ( 2735 PWs) bands (ev): -31.6696 -31.6696 -31.6190 -31.6190 -13.0985 -13.0985 -12.9808 -12.9808 -12.6970 -12.6970 -12.6229 -12.6229 -12.5271 -12.5271 -12.4639 -12.4639 -8.5887 -8.5887 -3.2244 -3.2244 2.5910 2.5910 2.7324 2.7324 3.7540 3.7540 6.6700 6.6700 6.8412 6.8412 7.3470 7.3470 10.3291 10.3291 11.5876 11.5876 12.5877 12.5877 12.6112 12.6112 k = 0.5874 0.1618-0.4794 ( 2735 PWs) bands (ev): -31.6712 -31.6712 -31.6191 -31.6191 -13.0984 -13.0984 -12.9740 -12.9740 -12.6957 -12.6957 -12.6192 -12.6192 -12.5234 -12.5234 -12.4633 -12.4633 -8.5977 -8.5977 -3.2341 -3.2341 2.5849 2.5849 2.7907 2.7907 3.7684 3.7684 6.6669 6.6669 6.8353 6.8353 7.3431 7.3431 10.3840 10.3840 11.6105 11.6105 12.5733 12.5733 12.5846 12.5846 k = 0.5841 0.1609-0.4577 ( 2742 PWs) bands (ev): -31.6727 -31.6727 -31.6192 -31.6192 -13.0984 -13.0984 -12.9672 -12.9672 -12.6944 -12.6944 -12.6153 -12.6153 -12.5198 -12.5198 -12.4627 -12.4627 -8.6067 -8.6067 -3.2439 -3.2439 2.5779 2.5779 2.8514 2.8514 3.7829 3.7829 6.6501 6.6501 6.8425 6.8425 7.3390 7.3390 10.4406 10.4406 11.6364 11.6364 12.5527 12.5527 12.5599 12.5599 k = 0.5807 0.1599-0.4361 ( 2744 PWs) bands (ev): -31.6742 -31.6742 -31.6194 -31.6194 -13.0985 -13.0985 -12.9605 -12.9605 -12.6929 -12.6929 -12.6113 -12.6113 -12.5160 -12.5160 -12.4621 -12.4621 -8.6157 -8.6157 -3.2539 -3.2539 2.5709 2.5709 2.9136 2.9136 3.7976 3.7976 6.6234 6.6234 6.8591 6.8591 7.3348 7.3348 10.4985 10.4985 11.6651 11.6651 12.5253 12.5253 12.5330 12.5330 k = 0.5773 0.1590-0.4144 ( 2748 PWs) bands (ev): -31.6757 -31.6757 -31.6195 -31.6195 -13.0988 -13.0988 -12.9539 -12.9539 -12.6914 -12.6914 -12.6072 -12.6072 -12.5124 -12.5124 -12.4614 -12.4614 -8.6246 -8.6246 -3.2640 -3.2640 2.5640 2.5640 2.9768 2.9768 3.8123 3.8123 6.5912 6.5912 6.8809 6.8809 7.3303 7.3303 10.5576 10.5576 11.6965 11.6965 12.4867 12.4867 12.5069 12.5069 k = 0.5740 0.1581-0.3928 ( 2746 PWs) bands (ev): -31.6771 -31.6771 -31.6197 -31.6197 -13.0991 -13.0991 -12.9473 -12.9473 -12.6899 -12.6899 -12.6029 -12.6029 -12.5087 -12.5087 -12.4607 -12.4607 -8.6334 -8.6334 -3.2742 -3.2742 2.5576 2.5576 3.0406 3.0406 3.8270 3.8270 6.5561 6.5561 6.9052 6.9052 7.3258 7.3258 10.6173 10.6173 11.7303 11.7303 12.4401 12.4401 12.4829 12.4829 k = 0.5706 0.1572-0.3711 ( 2743 PWs) bands (ev): -31.6785 -31.6785 -31.6198 -31.6198 -13.0996 -13.0996 -12.9410 -12.9410 -12.6883 -12.6883 -12.5985 -12.5985 -12.5052 -12.5052 -12.4600 -12.4600 -8.6421 -8.6421 -3.2844 -3.2844 2.5516 2.5516 3.1049 3.1049 3.8416 3.8416 6.5194 6.5194 6.9307 6.9307 7.3211 7.3211 10.6773 10.6773 11.7663 11.7663 12.3912 12.3912 12.4602 12.4602 k = 0.5672 0.1562-0.3495 ( 2738 PWs) bands (ev): -31.6799 -31.6799 -31.6200 -31.6200 -13.1001 -13.1001 -12.9347 -12.9347 -12.6867 -12.6867 -12.5940 -12.5940 -12.5018 -12.5018 -12.4592 -12.4592 -8.6507 -8.6507 -3.2946 -3.2946 2.5461 2.5461 3.1693 3.1693 3.8562 3.8562 6.4821 6.4821 6.9566 6.9566 7.3163 7.3163 10.7370 10.7370 11.8040 11.8040 12.3426 12.3426 12.4385 12.4385 k = 0.5639 0.1553-0.3278 ( 2746 PWs) bands (ev): -31.6813 -31.6813 -31.6202 -31.6202 -13.1007 -13.1007 -12.9287 -12.9287 -12.6851 -12.6851 -12.5895 -12.5895 -12.4986 -12.4986 -12.4582 -12.4582 -8.6590 -8.6590 -3.3047 -3.3047 2.5411 2.5411 3.2335 3.2335 3.8705 3.8705 6.4446 6.4446 6.9824 6.9824 7.3115 7.3115 10.7957 10.7957 11.8427 11.8427 12.2962 12.2962 12.4177 12.4177 k = 0.5605 0.1544-0.3062 ( 2749 PWs) bands (ev): -31.6826 -31.6826 -31.6204 -31.6204 -13.1014 -13.1014 -12.9229 -12.9229 -12.6835 -12.6835 -12.5849 -12.5849 -12.4957 -12.4957 -12.4571 -12.4571 -8.6671 -8.6671 -3.3146 -3.3146 2.5365 2.5365 3.2972 3.2972 3.8847 3.8847 6.4073 6.4073 7.0077 7.0077 7.3066 7.3066 10.8528 10.8528 11.8816 11.8816 12.2536 12.2536 12.3980 12.3980 k = 0.5572 0.1535-0.2845 ( 2745 PWs) bands (ev): -31.6838 -31.6838 -31.6206 -31.6206 -13.1021 -13.1021 -12.9174 -12.9174 -12.6818 -12.6818 -12.5803 -12.5803 -12.4931 -12.4931 -12.4558 -12.4558 -8.6749 -8.6749 -3.3245 -3.3245 2.5325 2.5325 3.3603 3.3603 3.8986 3.8986 6.3705 6.3705 7.0324 7.0324 7.3018 7.3018 10.9072 10.9072 11.9191 11.9191 12.2172 12.2172 12.3794 12.3794 k = 0.5538 0.1525-0.2629 ( 2745 PWs) bands (ev): -31.6850 -31.6850 -31.6208 -31.6208 -13.1028 -13.1028 -12.9121 -12.9121 -12.6803 -12.6803 -12.5756 -12.5756 -12.4909 -12.4909 -12.4544 -12.4544 -8.6825 -8.6825 -3.3340 -3.3340 2.5290 2.5290 3.4224 3.4224 3.9121 3.9121 6.3345 6.3345 7.0563 7.0563 7.2970 7.2970 10.9579 10.9579 11.9526 11.9526 12.1901 12.1901 12.3617 12.3617 k = 0.5504 0.1516-0.2412 ( 2735 PWs) bands (ev): -31.6862 -31.6862 -31.6210 -31.6210 -13.1035 -13.1035 -12.9071 -12.9071 -12.6787 -12.6787 -12.5709 -12.5709 -12.4891 -12.4891 -12.4526 -12.4526 -8.6898 -8.6898 -3.3434 -3.3434 2.5260 2.5260 3.4831 3.4831 3.9253 3.9253 6.2995 6.2995 7.0791 7.0791 7.2923 7.2923 11.0037 11.0037 11.9782 11.9782 12.1770 12.1770 12.3452 12.3452 k = 0.5471 0.1507-0.2196 ( 2731 PWs) bands (ev): -31.6873 -31.6873 -31.6212 -31.6212 -13.1043 -13.1043 -12.9024 -12.9024 -12.6772 -12.6772 -12.5662 -12.5662 -12.4878 -12.4878 -12.4506 -12.4506 -8.6967 -8.6967 -3.3524 -3.3524 2.5233 2.5233 3.5422 3.5422 3.9380 3.9380 6.2656 6.2656 7.1008 7.1008 7.2876 7.2876 11.0432 11.0432 11.9931 11.9931 12.1814 12.1814 12.3298 12.3298 k = 0.5437 0.1498-0.1979 ( 2731 PWs) bands (ev): -31.6883 -31.6883 -31.6214 -31.6214 -13.1051 -13.1051 -12.8979 -12.8979 -12.6757 -12.6757 -12.5615 -12.5615 -12.4869 -12.4869 -12.4485 -12.4485 -8.7032 -8.7032 -3.3610 -3.3610 2.5211 2.5211 3.5993 3.5993 3.9503 3.9503 6.2330 6.2330 7.1211 7.1211 7.2832 7.2832 11.0752 11.0752 11.9998 11.9998 12.2009 12.2009 12.3155 12.3155 k = 0.5403 0.1488-0.1763 ( 2732 PWs) bands (ev): -31.6893 -31.6893 -31.6215 -31.6215 -13.1058 -13.1058 -12.8938 -12.8938 -12.6744 -12.6744 -12.5569 -12.5569 -12.4865 -12.4865 -12.4462 -12.4462 -8.7094 -8.7094 -3.3692 -3.3692 2.5193 2.5193 3.6540 3.6540 3.9621 3.9621 6.2020 6.2020 7.1402 7.1402 7.2789 7.2789 11.0987 11.0987 12.0048 12.0048 12.2283 12.2283 12.3023 12.3023 k = 0.5370 0.1479-0.1546 ( 2730 PWs) bands (ev): -31.6902 -31.6902 -31.6217 -31.6217 -13.1066 -13.1066 -12.8900 -12.8900 -12.6731 -12.6731 -12.5524 -12.5524 -12.4864 -12.4864 -12.4438 -12.4438 -8.7151 -8.7151 -3.3770 -3.3770 2.5177 2.5177 3.7059 3.7059 3.9735 3.9735 6.1726 6.1726 7.1578 7.1578 7.2748 7.2748 11.1134 11.1134 12.0133 12.0133 12.2565 12.2565 12.2903 12.2903 k = 0.5336 0.1470-0.1330 ( 2728 PWs) bands (ev): -31.6910 -31.6910 -31.6219 -31.6219 -13.1073 -13.1073 -12.8866 -12.8866 -12.6719 -12.6719 -12.5480 -12.5480 -12.4866 -12.4866 -12.4414 -12.4414 -8.7204 -8.7204 -3.3843 -3.3843 2.5165 2.5165 3.7547 3.7547 3.9844 3.9844 6.1451 6.1451 7.1739 7.1739 7.2710 7.2710 11.1198 11.1198 12.0276 12.0276 12.2766 12.2766 12.2830 12.2830 k = 0.5303 0.1461-0.1113 ( 2726 PWs) bands (ev): -31.6918 -31.6918 -31.6220 -31.6220 -13.1080 -13.1080 -12.8834 -12.8834 -12.6708 -12.6708 -12.5437 -12.5437 -12.4872 -12.4872 -12.4391 -12.4391 -8.7253 -8.7253 -3.3910 -3.3910 2.5155 2.5155 3.7998 3.7998 3.9949 3.9949 6.1195 6.1195 7.1885 7.1885 7.2674 7.2674 11.1188 11.1188 12.0478 12.0478 12.2687 12.2687 12.2966 12.2966 k = 0.5269 0.1451-0.0897 ( 2724 PWs) bands (ev): -31.6925 -31.6925 -31.6222 -31.6222 -13.1086 -13.1086 -12.8806 -12.8806 -12.6698 -12.6698 -12.5395 -12.5395 -12.4880 -12.4880 -12.4368 -12.4368 -8.7297 -8.7297 -3.3971 -3.3971 2.5148 2.5148 3.8407 3.8407 4.0051 4.0051 6.0961 6.0961 7.2015 7.2015 7.2642 7.2642 11.1123 11.1123 12.0726 12.0726 12.2601 12.2601 12.3031 12.3031 k = 0.5235 0.1442-0.0680 ( 2728 PWs) bands (ev): -31.6931 -31.6931 -31.6223 -31.6223 -13.1093 -13.1093 -12.8781 -12.8781 -12.6689 -12.6689 -12.5356 -12.5356 -12.4890 -12.4890 -12.4348 -12.4348 -8.7336 -8.7336 -3.4026 -3.4026 2.5142 2.5142 3.8770 3.8770 4.0151 4.0151 6.0750 6.0750 7.2130 7.2130 7.2613 7.2613 11.1018 11.1018 12.1002 12.1002 12.2524 12.2524 12.3021 12.3021 k = 0.5202 0.1433-0.0464 ( 2728 PWs) bands (ev): -31.6936 -31.6936 -31.6224 -31.6224 -13.1098 -13.1098 -12.8760 -12.8760 -12.6681 -12.6681 -12.5318 -12.5318 -12.4902 -12.4902 -12.4329 -12.4329 -8.7370 -8.7370 -3.4074 -3.4074 2.5138 2.5138 3.9080 3.9080 4.0251 4.0251 6.0564 6.0564 7.2228 7.2228 7.2588 7.2588 11.0893 11.0893 12.1286 12.1286 12.2458 12.2458 12.2965 12.2965 k = 0.5168 0.1423-0.0247 ( 2728 PWs) bands (ev): -31.6941 -31.6941 -31.6225 -31.6225 -13.1102 -13.1102 -12.8741 -12.8741 -12.6674 -12.6674 -12.5284 -12.5284 -12.4915 -12.4915 -12.4312 -12.4312 -8.7399 -8.7399 -3.4116 -3.4116 2.5135 2.5135 3.9334 3.9334 4.0351 4.0351 6.0403 6.0403 7.2309 7.2309 7.2568 7.2568 11.0763 11.0763 12.1560 12.1560 12.2402 12.2402 12.2890 12.2890 k = 0.5134 0.1414-0.0031 ( 2722 PWs) bands (ev): -31.6945 -31.6945 -31.6226 -31.6226 -13.1106 -13.1106 -12.8726 -12.8726 -12.6668 -12.6668 -12.5252 -12.5252 -12.4929 -12.4929 -12.4298 -12.4298 -8.7423 -8.7423 -3.4150 -3.4150 2.5133 2.5133 3.9530 3.9530 4.0450 4.0450 6.0270 6.0270 7.2374 7.2374 7.2553 7.2553 11.0640 11.0640 12.1805 12.1805 12.2357 12.2357 12.2813 12.2813 k = 0.5101 0.1405 0.0186 ( 2718 PWs) bands (ev): -31.6947 -31.6947 -31.6227 -31.6227 -13.1109 -13.1109 -12.8715 -12.8715 -12.6664 -12.6664 -12.5224 -12.5224 -12.4943 -12.4943 -12.4287 -12.4287 -8.7442 -8.7442 -3.4177 -3.4177 2.5131 2.5131 3.9672 3.9672 4.0541 4.0541 6.0164 6.0164 7.2420 7.2420 7.2546 7.2546 11.0535 11.0535 12.2008 12.2008 12.2322 12.2322 12.2747 12.2747 k = 0.5067 0.1396 0.0402 ( 2716 PWs) bands (ev): -31.6950 -31.6950 -31.6227 -31.6227 -13.1110 -13.1110 -12.8706 -12.8706 -12.6661 -12.6661 -12.5202 -12.5202 -12.4955 -12.4955 -12.4279 -12.4279 -8.7455 -8.7455 -3.4196 -3.4196 2.5131 2.5131 3.9765 3.9765 4.0616 4.0616 6.0089 6.0089 7.2447 7.2447 7.2546 7.2546 11.0454 11.0454 12.2155 12.2155 12.2298 12.2298 12.2699 12.2699 k = 0.5034 0.1386 0.0619 ( 2712 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1111 -13.1111 -12.8701 -12.8701 -12.6659 -12.6659 -12.5188 -12.5188 -12.4963 -12.4963 -12.4274 -12.4274 -8.7464 -8.7464 -3.4208 -3.4208 2.5130 2.5130 3.9818 3.9818 4.0664 4.0664 6.0043 6.0043 7.2458 7.2458 7.2551 7.2551 11.0404 11.0404 12.2239 12.2239 12.2289 12.2289 12.2672 12.2672 k = 0.5000 0.1377 0.0835 ( 2726 PWs) bands (ev): -31.6951 -31.6951 -31.6227 -31.6227 -13.1112 -13.1112 -12.8700 -12.8700 -12.6658 -12.6658 -12.5183 -12.5183 -12.4967 -12.4967 -12.4274 -12.4274 -8.7466 -8.7466 -3.4212 -3.4212 2.5130 2.5130 3.9835 3.9835 4.0681 4.0681 6.0028 6.0028 7.2461 7.2461 7.2553 7.2553 11.0387 11.0387 12.2258 12.2258 12.2294 12.2294 12.2664 12.2664 k = 0.5000-0.8388-0.5088 ( 2710 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0974 -13.0974 -13.0675 -13.0675 -12.7098 -12.7098 -12.6621 -12.6621 -12.5954 -12.5954 -12.4805 -12.4805 -8.4543 -8.4543 -3.1132 -3.1132 1.9912 1.9912 2.8241 2.8241 3.5763 3.5763 6.0674 6.0674 7.1457 7.1457 7.3440 7.3440 10.4695 10.4695 11.5860 11.5860 12.4493 12.4493 12.7217 12.7217 k = 0.5186-0.8307-0.5039 ( 2712 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0975 -13.0975 -13.0674 -13.0674 -12.7098 -12.7098 -12.6621 -12.6621 -12.5953 -12.5953 -12.4805 -12.4805 -8.4544 -8.4544 -3.1132 -3.1132 1.9911 1.9911 2.8239 2.8239 3.5762 3.5762 6.0686 6.0686 7.1461 7.1461 7.3441 7.3441 10.4644 10.4644 11.5888 11.5888 12.4513 12.4513 12.7217 12.7217 k = 0.5372-0.8226-0.4990 ( 2706 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0979 -13.0979 -13.0674 -13.0674 -12.7097 -12.7097 -12.6621 -12.6621 -12.5951 -12.5951 -12.4804 -12.4804 -8.4545 -8.4545 -3.1130 -3.1130 1.9905 1.9905 2.8232 2.8232 3.5761 3.5761 6.0722 6.0722 7.1473 7.1473 7.3446 7.3446 10.4495 10.4495 11.5966 11.5966 12.4575 12.4575 12.7215 12.7215 k = 0.5558-0.8145-0.4940 ( 2714 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0986 -13.0986 -13.0673 -13.0673 -12.7096 -12.7096 -12.6621 -12.6621 -12.5946 -12.5946 -12.4803 -12.4803 -8.4547 -8.4547 -3.1129 -3.1129 1.9896 1.9896 2.8221 2.8221 3.5760 3.5760 6.0781 6.0781 7.1493 7.1493 7.3453 7.3453 10.4258 10.4258 11.6083 11.6083 12.4683 12.4683 12.7213 12.7213 k = 0.5744-0.8064-0.4891 ( 2717 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.0995 -13.0995 -13.0672 -13.0672 -12.7094 -12.7094 -12.6621 -12.6621 -12.5940 -12.5940 -12.4801 -12.4801 -8.4550 -8.4550 -3.1126 -3.1126 1.9883 1.9883 2.8205 2.8205 3.5757 3.5757 6.0863 6.0863 7.1520 7.1520 7.3464 7.3464 10.3944 10.3944 11.6222 11.6222 12.4841 12.4841 12.7212 12.7212 k = 0.5930-0.7983-0.4842 ( 2719 PWs) bands (ev): -31.6450 -31.6450 -31.6215 -31.6215 -13.1006 -13.1006 -13.0671 -13.0671 -12.7092 -12.7092 -12.6621 -12.6621 -12.5933 -12.5933 -12.4798 -12.4798 -8.4554 -8.4554 -3.1123 -3.1123 1.9868 1.9868 2.8186 2.8186 3.5755 3.5755 6.0965 6.0965 7.1554 7.1554 7.3477 7.3477 10.3568 10.3568 11.6363 11.6363 12.5053 12.5053 12.7216 12.7216 k = 0.6115-0.7902-0.4793 ( 2719 PWs) bands (ev): -31.6451 -31.6451 -31.6214 -31.6214 -13.1018 -13.1018 -13.0670 -13.0670 -12.7089 -12.7089 -12.6620 -12.6620 -12.5924 -12.5924 -12.4795 -12.4795 -8.4559 -8.4559 -3.1119 -3.1119 1.9849 1.9849 2.8164 2.8164 3.5752 3.5752 6.1086 6.1086 7.1596 7.1596 7.3492 7.3492 10.3146 10.3146 11.6489 11.6489 12.5321 12.5321 12.7232 12.7232 k = 0.6301-0.7821-0.4744 ( 2721 PWs) bands (ev): -31.6451 -31.6451 -31.6214 -31.6214 -13.1032 -13.1032 -13.0669 -13.0669 -12.7086 -12.7086 -12.6619 -12.6619 -12.5913 -12.5913 -12.4791 -12.4791 -8.4564 -8.4564 -3.1115 -3.1115 1.9828 1.9828 2.8139 2.8139 3.5748 3.5748 6.1225 6.1225 7.1644 7.1644 7.3510 7.3510 10.2691 10.2691 11.6586 11.6586 12.5636 12.5637 12.7269 12.7269 k = 0.6487-0.7740-0.4695 ( 2719 PWs) bands (ev): -31.6451 -31.6451 -31.6214 -31.6214 -13.1047 -13.1047 -13.0668 -13.0668 -12.7083 -12.7083 -12.6618 -12.6618 -12.5902 -12.5902 -12.4787 -12.4787 -8.4570 -8.4570 -3.1110 -3.1110 1.9804 1.9804 2.8112 2.8112 3.5744 3.5744 6.1378 6.1378 7.1698 7.1698 7.3529 7.3529 10.2214 10.2214 11.6645 11.6645 12.5977 12.5977 12.7351 12.7351 k = 0.6673-0.7659-0.4646 ( 2718 PWs) bands (ev): -31.6452 -31.6452 -31.6214 -31.6214 -13.1063 -13.1063 -13.0668 -13.0668 -12.7080 -12.7080 -12.6617 -12.6617 -12.5889 -12.5889 -12.4783 -12.4783 -8.4576 -8.4576 -3.1106 -3.1106 1.9779 1.9779 2.8084 2.8084 3.5740 3.5740 6.1544 6.1544 7.1758 7.1758 7.3550 7.3550 10.1727 10.1727 11.6664 11.6664 12.6294 12.6294 12.7525 12.7525 k = 0.6859-0.7578-0.4596 ( 2717 PWs) bands (ev): -31.6452 -31.6452 -31.6214 -31.6214 -13.1078 -13.1078 -13.0668 -13.0668 -12.7077 -12.7077 -12.6616 -12.6616 -12.5877 -12.5877 -12.4778 -12.4778 -8.4583 -8.4583 -3.1101 -3.1101 1.9752 1.9752 2.8054 2.8054 3.5736 3.5736 6.1719 6.1719 7.1821 7.1821 7.3572 7.3572 10.1238 10.1238 11.6642 11.6642 12.6524 12.6524 12.7844 12.7844 k = 0.7045-0.7497-0.4547 ( 2716 PWs) bands (ev): -31.6453 -31.6453 -31.6214 -31.6214 -13.1095 -13.1095 -13.0668 -13.0668 -12.7074 -12.7074 -12.6614 -12.6614 -12.5863 -12.5863 -12.4773 -12.4773 -8.4590 -8.4590 -3.1096 -3.1096 1.9725 1.9725 2.8025 2.8025 3.5731 3.5731 6.1900 6.1900 7.1889 7.1889 7.3594 7.3594 10.0754 10.0754 11.6583 11.6583 12.6656 12.6656 12.8310 12.8310 k = 0.7231-0.7416-0.4498 ( 2714 PWs) bands (ev): -31.6453 -31.6453 -31.6213 -31.6213 -13.1110 -13.1110 -13.0669 -13.0669 -12.7071 -12.7071 -12.6612 -12.6612 -12.5850 -12.5850 -12.4768 -12.4768 -8.4598 -8.4598 -3.1091 -3.1091 1.9697 1.9697 2.7996 2.7996 3.5727 3.5727 6.2084 6.2084 7.1959 7.1959 7.3617 7.3617 10.0283 10.0283 11.6495 11.6495 12.6728 12.6728 12.8875 12.8875 k = 0.7417-0.7335-0.4449 ( 2716 PWs) bands (ev): -31.6454 -31.6454 -31.6213 -31.6213 -13.1126 -13.1126 -13.0670 -13.0670 -12.7068 -12.7068 -12.6610 -12.6610 -12.5836 -12.5836 -12.4763 -12.4763 -8.4605 -8.4605 -3.1086 -3.1086 1.9670 1.9670 2.7968 2.7968 3.5723 3.5723 6.2269 6.2269 7.2030 7.2030 7.3640 7.3640 9.9831 9.9831 11.6382 11.6382 12.6772 12.6772 12.9492 12.9492 k = 0.7603-0.7254-0.4400 ( 2710 PWs) bands (ev): -31.6454 -31.6454 -31.6213 -31.6213 -13.1141 -13.1141 -13.0671 -13.0671 -12.7065 -12.7065 -12.6608 -12.6608 -12.5822 -12.5822 -12.4757 -12.4757 -8.4613 -8.4613 -3.1081 -3.1081 1.9644 1.9644 2.7942 2.7942 3.5720 3.5720 6.2451 6.2451 7.2102 7.2102 7.3661 7.3661 9.9402 9.9402 11.6252 11.6252 12.6804 12.6804 13.0129 13.0129 k = 0.7789-0.7173-0.4351 ( 2706 PWs) bands (ev): -31.6455 -31.6455 -31.6212 -31.6212 -13.1155 -13.1155 -13.0672 -13.0672 -12.7062 -12.7062 -12.6605 -12.6605 -12.5809 -12.5809 -12.4752 -12.4752 -8.4620 -8.4620 -3.1077 -3.1077 1.9619 1.9619 2.7917 2.7917 3.5717 3.5717 6.2626 6.2626 7.2172 7.2172 7.3682 7.3682 9.9003 9.9003 11.6110 11.6110 12.6833 12.6833 13.0762 13.0762 k = 0.7974-0.7092-0.4302 ( 2706 PWs) bands (ev): -31.6456 -31.6456 -31.6212 -31.6212 -13.1168 -13.1168 -13.0673 -13.0673 -12.7060 -12.7060 -12.6603 -12.6603 -12.5797 -12.5797 -12.4747 -12.4747 -8.4628 -8.4628 -3.1074 -3.1074 1.9596 1.9596 2.7895 2.7895 3.5714 3.5714 6.2793 6.2793 7.2239 7.2239 7.3701 7.3701 9.8636 9.8636 11.5963 11.5963 12.6865 12.6865 13.1365 13.1365 k = 0.8160-0.7011-0.4252 ( 2705 PWs) bands (ev): -31.6456 -31.6456 -31.6212 -31.6212 -13.1180 -13.1180 -13.0675 -13.0675 -12.7058 -12.7058 -12.6600 -12.6600 -12.5786 -12.5786 -12.4742 -12.4742 -8.4635 -8.4635 -3.1071 -3.1071 1.9576 1.9576 2.7875 2.7875 3.5712 3.5712 6.2949 6.2949 7.2302 7.2302 7.3719 7.3719 9.8306 9.8306 11.5815 11.5815 12.6901 12.6901 13.1916 13.1916 Writing output data file Ca2NCl.save init_run : 0.82s CPU 1.06s WALL ( 1 calls) electrons : 268.95s CPU 272.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 268.95s CPU 272.85s 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 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 331 calls) cegterg : 255.38s CPU 258.05s WALL ( 908 calls) Called by sum_band: Called by *egterg: h_psi : 171.26s CPU 172.61s WALL ( 16505 calls) s_psi : 4.69s CPU 4.71s WALL ( 16505 calls) g_psi : 0.14s CPU 0.20s WALL ( 15266 calls) cdiaghg : 76.90s CPU 78.36s WALL ( 15597 calls) cegterg:over : 4.86s CPU 4.92s WALL ( 15266 calls) cegterg:upda : 4.13s CPU 4.18s WALL ( 15266 calls) cegterg:last : 1.96s CPU 1.90s WALL ( 1992 calls) cdiaghg:chol : 4.12s CPU 4.22s WALL ( 15597 calls) cdiaghg:inve : 2.38s CPU 2.41s WALL ( 15597 calls) cdiaghg:para : 4.39s CPU 4.44s WALL ( 31194 calls) Called by h_psi: h_psi:vloc : 160.99s CPU 162.26s WALL ( 16505 calls) h_psi:vnl : 10.08s CPU 10.18s WALL ( 16505 calls) add_vuspsi : 5.40s CPU 5.44s WALL ( 16505 calls) General routines calbec : 4.63s CPU 4.69s WALL ( 16505 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 147.48s CPU 148.76s WALL ( 982216 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.19s WALL ( 662 calls) Parallel routines fft_scatter : 36.33s CPU 36.72s WALL ( 982239 calls) PWSCF : 4m41.59s CPU 5m10.84s WALL This run was terminated on: 16:47: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=