Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:29:14 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: ./Bi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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 73 29 8 1949 493 80 Max 74 30 9 1952 505 83 Sum 2649 1067 319 70225 17965 2939 bravais-lattice index = 14 lattice parameter (alat) = 8.5490 a.u. unit-cell volume = 425.5245 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.549049 celldm(2)= 1.000000 celldm(3)= 0.729478 celldm(4)= 0.257206 celldm(5)= 0.257206 celldm(6)= 0.087720 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.087720 0.996145 0.000000 ) a(3) = ( 0.187626 0.171830 0.683673 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.088059 -0.252306 ) b(2) = ( 0.000000 1.003870 -0.252306 ) b(3) = ( 0.000000 0.000000 1.462687 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 15.00 208.98040 Bi( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0098039 0.0089785 -0.0049472), wk = 0.0028571 k( 3) = ( 0.0196078 0.0179571 -0.0098943), wk = 0.0028571 k( 4) = ( 0.0294118 0.0269356 -0.0148415), wk = 0.0028571 k( 5) = ( 0.0392157 0.0359141 -0.0197887), wk = 0.0028571 k( 6) = ( 0.0490196 0.0448927 -0.0247359), wk = 0.0028571 k( 7) = ( 0.0588235 0.0538712 -0.0296830), wk = 0.0028571 k( 8) = ( 0.0686275 0.0628497 -0.0346302), wk = 0.0028571 k( 9) = ( 0.0784314 0.0718283 -0.0395774), wk = 0.0028571 k( 10) = ( 0.0882353 0.0808068 -0.0445245), wk = 0.0028571 k( 11) = ( 0.0980392 0.0897853 -0.0494717), wk = 0.0028571 k( 12) = ( 0.1078431 0.0987639 -0.0544189), wk = 0.0028571 k( 13) = ( 0.1176471 0.1077424 -0.0593661), wk = 0.0028571 k( 14) = ( 0.1274510 0.1167209 -0.0643132), wk = 0.0028571 k( 15) = ( 0.1372549 0.1256995 -0.0692604), wk = 0.0028571 k( 16) = ( 0.1470588 0.1346780 -0.0742076), wk = 0.0028571 k( 17) = ( 0.1568627 0.1436565 -0.0791547), wk = 0.0028571 k( 18) = ( 0.1666667 0.1526351 -0.0841019), wk = 0.0028571 k( 19) = ( 0.1764706 0.1616136 -0.0890491), wk = 0.0028571 k( 20) = ( 0.1862745 0.1705921 -0.0939962), wk = 0.0028571 k( 21) = ( 0.1960784 0.1795707 -0.0989434), wk = 0.0028571 k( 22) = ( 0.2058823 0.1885492 -0.1038906), wk = 0.0028571 k( 23) = ( 0.2156863 0.1975277 -0.1088378), wk = 0.0028571 k( 24) = ( 0.2254902 0.2065063 -0.1137849), wk = 0.0028571 k( 25) = ( 0.2352941 0.2154848 -0.1187321), wk = 0.0028571 k( 26) = ( 0.2450980 0.2244633 -0.1236793), wk = 0.0028571 k( 27) = ( 0.2549020 0.2334419 -0.1286264), wk = 0.0028571 k( 28) = ( 0.2647059 0.2424204 -0.1335736), wk = 0.0028571 k( 29) = ( 0.2745098 0.2513989 -0.1385208), wk = 0.0028571 k( 30) = ( 0.2843137 0.2603775 -0.1434680), wk = 0.0028571 k( 31) = ( 0.2941177 0.2693560 -0.1484151), wk = 0.0028571 k( 32) = ( 0.3039216 0.2783345 -0.1533623), wk = 0.0028571 k( 33) = ( 0.3137255 0.2873131 -0.1583095), wk = 0.0028571 k( 34) = ( 0.3235294 0.2962916 -0.1632566), wk = 0.0028571 k( 35) = ( 0.3333333 0.3052701 -0.1682038), wk = 0.0028571 k( 36) = ( 0.3431373 0.3142487 -0.1731510), wk = 0.0028571 k( 37) = ( 0.3529412 0.3232272 -0.1780982), wk = 0.0028571 k( 38) = ( 0.3627451 0.3322057 -0.1830453), wk = 0.0028571 k( 39) = ( 0.3725490 0.3411843 -0.1879925), wk = 0.0028571 k( 40) = ( 0.3823529 0.3501628 -0.1929397), wk = 0.0028571 k( 41) = ( 0.3921569 0.3591413 -0.1978868), wk = 0.0028571 k( 42) = ( 0.4019608 0.3681199 -0.2028340), wk = 0.0028571 k( 43) = ( 0.4117647 0.3770984 -0.2077812), wk = 0.0028571 k( 44) = ( 0.4215686 0.3860769 -0.2127284), wk = 0.0028571 k( 45) = ( 0.4313726 0.3950555 -0.2176755), wk = 0.0028571 k( 46) = ( 0.4411765 0.4040340 -0.2226227), wk = 0.0028571 k( 47) = ( 0.4509804 0.4130125 -0.2275699), wk = 0.0028571 k( 48) = ( 0.4607843 0.4219911 -0.2325170), wk = 0.0028571 k( 49) = ( 0.4705882 0.4309696 -0.2374642), wk = 0.0028571 k( 50) = ( 0.4803922 0.4399481 -0.2424114), wk = 0.0028571 k( 51) = ( 0.4901961 0.4489267 -0.2473586), wk = 0.0028571 k( 52) = ( 0.5000000 0.4579052 -0.2523057), wk = 0.0028571 k( 53) = ( 0.5000000 0.4579052 -0.2523057), wk = 0.0028571 k( 54) = ( 0.5036518 0.4612496 -0.2389991), wk = 0.0028571 k( 55) = ( 0.5073037 0.4645940 -0.2256925), wk = 0.0028571 k( 56) = ( 0.5109555 0.4679384 -0.2123859), wk = 0.0028571 k( 57) = ( 0.5146074 0.4712828 -0.1990793), wk = 0.0028571 k( 58) = ( 0.5182592 0.4746272 -0.1857727), wk = 0.0028571 k( 59) = ( 0.5219110 0.4779716 -0.1724661), wk = 0.0028571 k( 60) = ( 0.5255629 0.4813160 -0.1591595), wk = 0.0028571 k( 61) = ( 0.5292147 0.4846603 -0.1458529), wk = 0.0028571 k( 62) = ( 0.5328665 0.4880047 -0.1325462), wk = 0.0028571 k( 63) = ( 0.5365184 0.4913491 -0.1192396), wk = 0.0028571 k( 64) = ( 0.5401702 0.4946935 -0.1059330), wk = 0.0028571 k( 65) = ( 0.5438221 0.4980379 -0.0926264), wk = 0.0028571 k( 66) = ( 0.5474739 0.5013823 -0.0793198), wk = 0.0028571 k( 67) = ( 0.5511257 0.5047267 -0.0660132), wk = 0.0028571 k( 68) = ( 0.5547776 0.5080711 -0.0527066), wk = 0.0028571 k( 69) = ( 0.5584294 0.5114155 -0.0394000), wk = 0.0028571 k( 70) = ( 0.5620812 0.5147599 -0.0260934), wk = 0.0028571 k( 71) = ( 0.5657331 0.5181043 -0.0127868), wk = 0.0028571 k( 72) = ( 0.5693849 0.5214487 0.0005198), wk = 0.0028571 k( 73) = ( 0.5730368 0.5247930 0.0138264), wk = 0.0028571 k( 74) = ( 0.5766886 0.5281374 0.0271331), wk = 0.0028571 k( 75) = ( 0.5803404 0.5314818 0.0404397), wk = 0.0028571 k( 76) = ( 0.5839923 0.5348262 0.0537463), wk = 0.0028571 k( 77) = ( 0.5876441 0.5381706 0.0670529), wk = 0.0028571 k( 78) = ( 0.5912960 0.5415150 0.0803595), wk = 0.0028571 k( 79) = ( 0.5949478 0.5448594 0.0936661), wk = 0.0028571 k( 80) = ( 0.5985996 0.5482038 0.1069727), wk = 0.0028571 k( 81) = ( 0.6022515 0.5515482 0.1202793), wk = 0.0028571 k( 82) = ( 0.6059033 0.5548926 0.1335859), wk = 0.0028571 k( 83) = ( 0.6095552 0.5582370 0.1468925), wk = 0.0028571 k( 84) = ( 0.6132070 0.5615814 0.1601991), wk = 0.0028571 k( 85) = ( 0.6168588 0.5649257 0.1735057), wk = 0.0028571 k( 86) = ( 0.6205107 0.5682701 0.1868124), wk = 0.0028571 k( 87) = ( 0.6241625 0.5716145 0.2001190), wk = 0.0028571 k( 88) = ( 0.6278143 0.5749589 0.2134256), wk = 0.0028571 k( 89) = ( 0.6314662 0.5783033 0.2267322), wk = 0.0028571 k( 90) = ( 0.6314662 0.5783033 0.2267322), wk = 0.0028571 k( 91) = ( 0.6254904 0.5728307 0.2382006), wk = 0.0028571 k( 92) = ( 0.6195147 0.5673580 0.2496691), wk = 0.0028571 k( 93) = ( 0.6135390 0.5618854 0.2611375), wk = 0.0028571 k( 94) = ( 0.6075632 0.5564127 0.2726060), wk = 0.0028571 k( 95) = ( 0.6015875 0.5509401 0.2840744), wk = 0.0028571 k( 96) = ( 0.5956118 0.5454675 0.2955428), wk = 0.0028571 k( 97) = ( 0.5896360 0.5399948 0.3070113), wk = 0.0028571 k( 98) = ( 0.5836603 0.5345222 0.3184797), wk = 0.0028571 k( 99) = ( 0.5776846 0.5290495 0.3299482), wk = 0.0028571 k( 100) = ( 0.5717088 0.5235769 0.3414166), wk = 0.0028571 k( 101) = ( 0.5657331 0.5181043 0.3528851), wk = 0.0028571 k( 102) = ( 0.5597574 0.5126316 0.3643535), wk = 0.0028571 k( 103) = ( 0.5537816 0.5071590 0.3758219), wk = 0.0028571 k( 104) = ( 0.5478059 0.5016863 0.3872904), wk = 0.0028571 k( 105) = ( 0.5418302 0.4962137 0.3987588), wk = 0.0028571 k( 106) = ( 0.5358544 0.4907411 0.4102273), wk = 0.0028571 k( 107) = ( 0.5298787 0.4852684 0.4216957), wk = 0.0028571 k( 108) = ( 0.5239029 0.4797958 0.4331641), wk = 0.0028571 k( 109) = ( 0.5179272 0.4743231 0.4446326), wk = 0.0028571 k( 110) = ( 0.5119515 0.4688505 0.4561010), wk = 0.0028571 k( 111) = ( 0.5059757 0.4633779 0.4675695), wk = 0.0028571 k( 112) = ( 0.5000000 0.4579052 0.4790379), wk = 0.0028571 k( 113) = ( 0.5000000 0.4579052 0.4790379), wk = 0.0028571 k( 114) = ( 0.5094538 0.4475824 0.4790379), wk = 0.0028571 k( 115) = ( 0.5189075 0.4372595 0.4790379), wk = 0.0028571 k( 116) = ( 0.5283613 0.4269367 0.4790379), wk = 0.0028571 k( 117) = ( 0.5378151 0.4166138 0.4790379), wk = 0.0028571 k( 118) = ( 0.5472689 0.4062910 0.4790379), wk = 0.0028571 k( 119) = ( 0.5567226 0.3959681 0.4790379), wk = 0.0028571 k( 120) = ( 0.5661764 0.3856453 0.4790379), wk = 0.0028571 k( 121) = ( 0.5756302 0.3753224 0.4790379), wk = 0.0028571 k( 122) = ( 0.5850840 0.3649996 0.4790379), wk = 0.0028571 k( 123) = ( 0.5945377 0.3546767 0.4790379), wk = 0.0028571 k( 124) = ( 0.6039915 0.3443539 0.4790379), wk = 0.0028571 k( 125) = ( 0.6134453 0.3340310 0.4790379), wk = 0.0028571 k( 126) = ( 0.6228991 0.3237082 0.4790379), wk = 0.0028571 k( 127) = ( 0.6323528 0.3133853 0.4790379), wk = 0.0028571 k( 128) = ( 0.6418066 0.3030625 0.4790379), wk = 0.0028571 k( 129) = ( 0.6512604 0.2927396 0.4790379), wk = 0.0028571 k( 130) = ( 0.6607142 0.2824168 0.4790379), wk = 0.0028571 k( 131) = ( 0.6701679 0.2720939 0.4790379), wk = 0.0028571 k( 132) = ( 0.6796217 0.2617711 0.4790379), wk = 0.0028571 k( 133) = ( 0.3203783 -0.3498304 0.7313436), wk = 0.0028571 k( 134) = ( 0.3106699 -0.3392295 0.7313436), wk = 0.0028571 k( 135) = ( 0.3009614 -0.3286285 0.7313436), wk = 0.0028571 k( 136) = ( 0.2912530 -0.3180276 0.7313436), wk = 0.0028571 k( 137) = ( 0.2815446 -0.3074267 0.7313436), wk = 0.0028571 k( 138) = ( 0.2718361 -0.2968258 0.7313436), wk = 0.0028571 k( 139) = ( 0.2621277 -0.2862248 0.7313436), wk = 0.0028571 k( 140) = ( 0.2524193 -0.2756239 0.7313436), wk = 0.0028571 k( 141) = ( 0.2427108 -0.2650230 0.7313436), wk = 0.0028571 k( 142) = ( 0.2330024 -0.2544221 0.7313436), wk = 0.0028571 k( 143) = ( 0.2232940 -0.2438212 0.7313436), wk = 0.0028571 k( 144) = ( 0.2135855 -0.2332203 0.7313436), wk = 0.0028571 k( 145) = ( 0.2038771 -0.2226193 0.7313436), wk = 0.0028571 k( 146) = ( 0.1941687 -0.2120184 0.7313436), wk = 0.0028571 k( 147) = ( 0.1844602 -0.2014175 0.7313436), wk = 0.0028571 k( 148) = ( 0.1747518 -0.1908166 0.7313436), wk = 0.0028571 k( 149) = ( 0.1650434 -0.1802156 0.7313436), wk = 0.0028571 k( 150) = ( 0.1553349 -0.1696147 0.7313436), wk = 0.0028571 k( 151) = ( 0.1456265 -0.1590138 0.7313436), wk = 0.0028571 k( 152) = ( 0.1359181 -0.1484129 0.7313436), wk = 0.0028571 k( 153) = ( 0.1262096 -0.1378120 0.7313436), wk = 0.0028571 k( 154) = ( 0.1165012 -0.1272110 0.7313436), wk = 0.0028571 k( 155) = ( 0.1067928 -0.1166101 0.7313436), wk = 0.0028571 k( 156) = ( 0.0970843 -0.1060092 0.7313436), wk = 0.0028571 k( 157) = ( 0.0873759 -0.0954083 0.7313436), wk = 0.0028571 k( 158) = ( 0.0776675 -0.0848074 0.7313436), wk = 0.0028571 k( 159) = ( 0.0679590 -0.0742064 0.7313436), wk = 0.0028571 k( 160) = ( 0.0582506 -0.0636055 0.7313436), wk = 0.0028571 k( 161) = ( 0.0485422 -0.0530046 0.7313436), wk = 0.0028571 k( 162) = ( 0.0388337 -0.0424037 0.7313436), wk = 0.0028571 k( 163) = ( 0.0291253 -0.0318028 0.7313436), wk = 0.0028571 k( 164) = ( 0.0194169 -0.0212018 0.7313436), wk = 0.0028571 k( 165) = ( 0.0097084 -0.0106009 0.7313436), wk = 0.0028571 k( 166) = ( 0.0000000 0.0000000 0.7313436), wk = 0.0028571 k( 167) = ( 0.0000000 0.0000000 0.7313436), wk = 0.0028571 k( 168) = ( 0.0105295 0.0096431 0.7313436), wk = 0.0028571 k( 169) = ( 0.0210591 0.0192861 0.7313436), wk = 0.0028571 k( 170) = ( 0.0315886 0.0289292 0.7313436), wk = 0.0028571 k( 171) = ( 0.0421182 0.0385722 0.7313436), wk = 0.0028571 k( 172) = ( 0.0526477 0.0482153 0.7313436), wk = 0.0028571 k( 173) = ( 0.0631772 0.0578584 0.7313436), wk = 0.0028571 k( 174) = ( 0.0737068 0.0675014 0.7313436), wk = 0.0028571 k( 175) = ( 0.0842363 0.0771445 0.7313436), wk = 0.0028571 k( 176) = ( 0.0947658 0.0867875 0.7313436), wk = 0.0028571 k( 177) = ( 0.1052954 0.0964306 0.7313436), wk = 0.0028571 k( 178) = ( 0.1158249 0.1060737 0.7313436), wk = 0.0028571 k( 179) = ( 0.1263545 0.1157167 0.7313436), wk = 0.0028571 k( 180) = ( 0.1368840 0.1253598 0.7313436), wk = 0.0028571 k( 181) = ( 0.1474135 0.1350028 0.7313436), wk = 0.0028571 k( 182) = ( 0.1579431 0.1446459 0.7313436), wk = 0.0028571 k( 183) = ( 0.1684726 0.1542890 0.7313436), wk = 0.0028571 k( 184) = ( 0.1790021 0.1639320 0.7313436), wk = 0.0028571 k( 185) = ( 0.1895317 0.1735751 0.7313436), wk = 0.0028571 k( 186) = ( 0.2000612 0.1832182 0.7313436), wk = 0.0028571 k( 187) = ( 0.2105908 0.1928612 0.7313436), wk = 0.0028571 k( 188) = ( 0.2211203 0.2025043 0.7313436), wk = 0.0028571 k( 189) = ( 0.2316498 0.2121473 0.7313436), wk = 0.0028571 k( 190) = ( 0.2421794 0.2217904 0.7313436), wk = 0.0028571 k( 191) = ( 0.2527089 0.2314335 0.7313436), wk = 0.0028571 k( 192) = ( 0.2632384 0.2410765 0.7313436), wk = 0.0028571 k( 193) = ( 0.2737680 0.2507196 0.7313436), wk = 0.0028571 k( 194) = ( 0.2842975 0.2603626 0.7313436), wk = 0.0028571 k( 195) = ( 0.2948271 0.2700057 0.7313436), wk = 0.0028571 k( 196) = ( 0.3053566 0.2796487 0.7313436), wk = 0.0028571 k( 197) = ( 0.3158861 0.2892918 0.7313436), wk = 0.0028571 k( 198) = ( 0.3264157 0.2989349 0.7313436), wk = 0.0028571 k( 199) = ( 0.3369452 0.3085779 0.7313436), wk = 0.0028571 k( 200) = ( 0.3474747 0.3182210 0.7313436), wk = 0.0028571 k( 201) = ( 0.3580043 0.3278641 0.7313436), wk = 0.0028571 k( 202) = ( 0.3685338 0.3375071 0.7313436), wk = 0.0028571 k( 203) = ( 0.5000000 0.4579052 -0.2523057), wk = 0.0028571 k( 204) = ( 0.5056429 0.4517436 -0.2523057), wk = 0.0028571 k( 205) = ( 0.5112858 0.4455820 -0.2523057), wk = 0.0028571 k( 206) = ( 0.4887142 -0.5336413 0.0000000), wk = 0.0028571 k( 207) = ( 0.4791316 -0.5231777 0.0000000), wk = 0.0028571 k( 208) = ( 0.4695490 -0.5127141 0.0000000), wk = 0.0028571 k( 209) = ( 0.4599663 -0.5022506 0.0000000), wk = 0.0028571 k( 210) = ( 0.4503837 -0.4917870 0.0000000), wk = 0.0028571 k( 211) = ( 0.4408011 -0.4813235 0.0000000), wk = 0.0028571 k( 212) = ( 0.4312184 -0.4708599 0.0000000), wk = 0.0028571 k( 213) = ( 0.4216358 -0.4603964 0.0000000), wk = 0.0028571 k( 214) = ( 0.4120532 -0.4499328 0.0000000), wk = 0.0028571 k( 215) = ( 0.4024705 -0.4394693 0.0000000), wk = 0.0028571 k( 216) = ( 0.3928879 -0.4290057 0.0000000), wk = 0.0028571 k( 217) = ( 0.3833053 -0.4185422 0.0000000), wk = 0.0028571 k( 218) = ( 0.3737226 -0.4080786 0.0000000), wk = 0.0028571 k( 219) = ( 0.3641400 -0.3976151 0.0000000), wk = 0.0028571 k( 220) = ( 0.3545574 -0.3871515 0.0000000), wk = 0.0028571 k( 221) = ( 0.3449747 -0.3766879 0.0000000), wk = 0.0028571 k( 222) = ( 0.3353921 -0.3662244 0.0000000), wk = 0.0028571 k( 223) = ( 0.3258095 -0.3557608 0.0000000), wk = 0.0028571 k( 224) = ( 0.3162269 -0.3452973 0.0000000), wk = 0.0028571 k( 225) = ( 0.3066442 -0.3348337 0.0000000), wk = 0.0028571 k( 226) = ( 0.2970616 -0.3243702 0.0000000), wk = 0.0028571 k( 227) = ( 0.2874790 -0.3139066 0.0000000), wk = 0.0028571 k( 228) = ( 0.2778963 -0.3034431 0.0000000), wk = 0.0028571 k( 229) = ( 0.2683137 -0.2929795 0.0000000), wk = 0.0028571 k( 230) = ( 0.2587311 -0.2825160 0.0000000), wk = 0.0028571 k( 231) = ( 0.2491484 -0.2720524 0.0000000), wk = 0.0028571 k( 232) = ( 0.2395658 -0.2615889 0.0000000), wk = 0.0028571 k( 233) = ( 0.2299832 -0.2511253 0.0000000), wk = 0.0028571 k( 234) = ( 0.2204005 -0.2406617 0.0000000), wk = 0.0028571 k( 235) = ( 0.2108179 -0.2301982 0.0000000), wk = 0.0028571 k( 236) = ( 0.2012353 -0.2197346 0.0000000), wk = 0.0028571 k( 237) = ( 0.1916526 -0.2092711 0.0000000), wk = 0.0028571 k( 238) = ( 0.1820700 -0.1988075 0.0000000), wk = 0.0028571 k( 239) = ( 0.1724874 -0.1883440 0.0000000), wk = 0.0028571 k( 240) = ( 0.1629047 -0.1778804 0.0000000), wk = 0.0028571 k( 241) = ( 0.1533221 -0.1674169 0.0000000), wk = 0.0028571 k( 242) = ( 0.1437395 -0.1569533 0.0000000), wk = 0.0028571 k( 243) = ( 0.1341568 -0.1464898 0.0000000), wk = 0.0028571 k( 244) = ( 0.1245742 -0.1360262 0.0000000), wk = 0.0028571 k( 245) = ( 0.1149916 -0.1255626 0.0000000), wk = 0.0028571 k( 246) = ( 0.1054090 -0.1150991 0.0000000), wk = 0.0028571 k( 247) = ( 0.0958263 -0.1046355 0.0000000), wk = 0.0028571 k( 248) = ( 0.0862437 -0.0941720 0.0000000), wk = 0.0028571 k( 249) = ( 0.0766611 -0.0837084 0.0000000), wk = 0.0028571 k( 250) = ( 0.0670784 -0.0732449 0.0000000), wk = 0.0028571 k( 251) = ( 0.0574958 -0.0627813 0.0000000), wk = 0.0028571 k( 252) = ( 0.0479132 -0.0523178 0.0000000), wk = 0.0028571 k( 253) = ( 0.0383305 -0.0418542 0.0000000), wk = 0.0028571 k( 254) = ( 0.0287479 -0.0313907 0.0000000), wk = 0.0028571 k( 255) = ( 0.0191653 -0.0209271 0.0000000), wk = 0.0028571 k( 256) = ( 0.0095826 -0.0104636 0.0000000), wk = 0.0028571 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 258) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 259) = ( 0.0138889 -0.0012230 -0.0035042), wk = 0.0028571 k( 260) = ( 0.0277778 -0.0024461 -0.0070085), wk = 0.0028571 k( 261) = ( 0.0416667 -0.0036691 -0.0105127), wk = 0.0028571 k( 262) = ( 0.0555556 -0.0048922 -0.0140170), wk = 0.0028571 k( 263) = ( 0.0694444 -0.0061152 -0.0175212), wk = 0.0028571 k( 264) = ( 0.0833333 -0.0073383 -0.0210255), wk = 0.0028571 k( 265) = ( 0.0972222 -0.0085613 -0.0245297), wk = 0.0028571 k( 266) = ( 0.1111111 -0.0097844 -0.0280340), wk = 0.0028571 k( 267) = ( 0.1250000 -0.0110074 -0.0315382), wk = 0.0028571 k( 268) = ( 0.1388889 -0.0122305 -0.0350425), wk = 0.0028571 k( 269) = ( 0.1527778 -0.0134535 -0.0385467), wk = 0.0028571 k( 270) = ( 0.1666667 -0.0146766 -0.0420510), wk = 0.0028571 k( 271) = ( 0.1805556 -0.0158996 -0.0455552), wk = 0.0028571 k( 272) = ( 0.1944444 -0.0171226 -0.0490594), wk = 0.0028571 k( 273) = ( 0.2083333 -0.0183457 -0.0525637), wk = 0.0028571 k( 274) = ( 0.2222222 -0.0195687 -0.0560679), wk = 0.0028571 k( 275) = ( 0.2361111 -0.0207918 -0.0595722), wk = 0.0028571 k( 276) = ( 0.2500000 -0.0220148 -0.0630764), wk = 0.0028571 k( 277) = ( 0.2638889 -0.0232379 -0.0665807), wk = 0.0028571 k( 278) = ( 0.2777778 -0.0244609 -0.0700849), wk = 0.0028571 k( 279) = ( 0.2916667 -0.0256840 -0.0735892), wk = 0.0028571 k( 280) = ( 0.3055556 -0.0269070 -0.0770934), wk = 0.0028571 k( 281) = ( 0.3194444 -0.0281301 -0.0805977), wk = 0.0028571 k( 282) = ( 0.3333333 -0.0293531 -0.0841019), wk = 0.0028571 k( 283) = ( 0.3472222 -0.0305761 -0.0876062), wk = 0.0028571 k( 284) = ( 0.3611111 -0.0317992 -0.0911104), wk = 0.0028571 k( 285) = ( 0.3750000 -0.0330222 -0.0946146), wk = 0.0028571 k( 286) = ( 0.3888889 -0.0342453 -0.0981189), wk = 0.0028571 k( 287) = ( 0.4027778 -0.0354683 -0.1016231), wk = 0.0028571 k( 288) = ( 0.4166667 -0.0366914 -0.1051274), wk = 0.0028571 k( 289) = ( 0.4305556 -0.0379144 -0.1086316), wk = 0.0028571 k( 290) = ( 0.4444444 -0.0391375 -0.1121359), wk = 0.0028571 k( 291) = ( 0.4583333 -0.0403605 -0.1156401), wk = 0.0028571 k( 292) = ( 0.4722222 -0.0415836 -0.1191444), wk = 0.0028571 k( 293) = ( 0.4861111 -0.0428066 -0.1226486), wk = 0.0028571 k( 294) = ( 0.5000000 -0.0440297 -0.1261529), wk = 0.0028571 k( 295) = ( 0.5000000 -0.0440297 0.6051908), wk = 0.0028571 k( 296) = ( 0.4909091 -0.0432291 0.5941873), wk = 0.0028571 k( 297) = ( 0.4818182 -0.0424286 0.5831838), wk = 0.0028571 k( 298) = ( 0.4727273 -0.0416280 0.5721804), wk = 0.0028571 k( 299) = ( 0.4636364 -0.0408275 0.5611769), wk = 0.0028571 k( 300) = ( 0.4545455 -0.0400270 0.5501734), wk = 0.0028571 k( 301) = ( 0.4454546 -0.0392264 0.5391700), wk = 0.0028571 k( 302) = ( 0.4363636 -0.0384259 0.5281665), wk = 0.0028571 k( 303) = ( 0.4272727 -0.0376253 0.5171630), wk = 0.0028571 k( 304) = ( 0.4181818 -0.0368248 0.5061596), wk = 0.0028571 k( 305) = ( 0.4090909 -0.0360243 0.4951561), wk = 0.0028571 k( 306) = ( 0.4000000 -0.0352237 0.4841526), wk = 0.0028571 k( 307) = ( 0.3909091 -0.0344232 0.4731491), wk = 0.0028571 k( 308) = ( 0.3818182 -0.0336226 0.4621457), wk = 0.0028571 k( 309) = ( 0.3727273 -0.0328221 0.4511422), wk = 0.0028571 k( 310) = ( 0.3636364 -0.0320216 0.4401387), wk = 0.0028571 k( 311) = ( 0.3545454 -0.0312210 0.4291353), wk = 0.0028571 k( 312) = ( 0.3454546 -0.0304205 0.4181318), wk = 0.0028571 k( 313) = ( 0.3363636 -0.0296200 0.4071283), wk = 0.0028571 k( 314) = ( 0.3272727 -0.0288194 0.3961249), wk = 0.0028571 k( 315) = ( 0.3181818 -0.0280189 0.3851214), wk = 0.0028571 k( 316) = ( 0.3090909 -0.0272183 0.3741179), wk = 0.0028571 k( 317) = ( 0.3000000 -0.0264178 0.3631145), wk = 0.0028571 k( 318) = ( 0.2909091 -0.0256173 0.3521110), wk = 0.0028571 k( 319) = ( 0.2818182 -0.0248167 0.3411075), wk = 0.0028571 k( 320) = ( 0.2727273 -0.0240162 0.3301041), wk = 0.0028571 k( 321) = ( 0.2636364 -0.0232156 0.3191006), wk = 0.0028571 k( 322) = ( 0.2545455 -0.0224151 0.3080971), wk = 0.0028571 k( 323) = ( 0.2454545 -0.0216146 0.2970937), wk = 0.0028571 k( 324) = ( 0.2363636 -0.0208140 0.2860902), wk = 0.0028571 k( 325) = ( 0.2272727 -0.0200135 0.2750867), wk = 0.0028571 k( 326) = ( 0.2181818 -0.0192129 0.2640832), wk = 0.0028571 k( 327) = ( 0.2090909 -0.0184124 0.2530798), wk = 0.0028571 k( 328) = ( 0.2000000 -0.0176119 0.2420763), wk = 0.0028571 k( 329) = ( 0.1909091 -0.0168113 0.2310728), wk = 0.0028571 k( 330) = ( 0.1818182 -0.0160108 0.2200694), wk = 0.0028571 k( 331) = ( 0.1727273 -0.0152102 0.2090659), wk = 0.0028571 k( 332) = ( 0.1636364 -0.0144097 0.1980624), wk = 0.0028571 k( 333) = ( 0.1545455 -0.0136092 0.1870590), wk = 0.0028571 k( 334) = ( 0.1454545 -0.0128086 0.1760555), wk = 0.0028571 k( 335) = ( 0.1363636 -0.0120081 0.1650520), wk = 0.0028571 k( 336) = ( 0.1272727 -0.0112075 0.1540486), wk = 0.0028571 k( 337) = ( 0.1181818 -0.0104070 0.1430451), wk = 0.0028571 k( 338) = ( 0.1090909 -0.0096065 0.1320416), wk = 0.0028571 k( 339) = ( 0.1000000 -0.0088059 0.1210382), wk = 0.0028571 k( 340) = ( 0.0909091 -0.0080054 0.1100347), wk = 0.0028571 k( 341) = ( 0.0818182 -0.0072049 0.0990312), wk = 0.0028571 k( 342) = ( 0.0727273 -0.0064043 0.0880277), wk = 0.0028571 k( 343) = ( 0.0636364 -0.0056038 0.0770243), wk = 0.0028571 k( 344) = ( 0.0545455 -0.0048032 0.0660208), wk = 0.0028571 k( 345) = ( 0.0454546 -0.0040027 0.0550173), wk = 0.0028571 k( 346) = ( 0.0363636 -0.0032022 0.0440139), wk = 0.0028571 k( 347) = ( 0.0272727 -0.0024016 0.0330104), wk = 0.0028571 k( 348) = ( 0.0181818 -0.0016011 0.0220069), wk = 0.0028571 k( 349) = ( 0.0090909 -0.0008005 0.0110035), wk = 0.0028571 k( 350) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0028571 k( 3) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0028571 k( 4) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0028571 k( 6) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0028571 k( 8) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0028571 k( 10) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0028571 k( 11) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0028571 k( 14) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0028571 k( 18) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028571 k( 19) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0028571 k( 20) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0028571 k( 21) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0028571 k( 22) = ( 0.2058823 0.2058824 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0028571 k( 26) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0028571 k( 29) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0028571 k( 30) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0028571 k( 31) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0028571 k( 32) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0028571 k( 33) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0028571 k( 34) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0028571 k( 38) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0028571 k( 39) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0028571 k( 40) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0028571 k( 41) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0028571 k( 42) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0028571 k( 43) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0028571 k( 44) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0028571 k( 46) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0028571 k( 47) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0028571 k( 50) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0028571 k( 51) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0028571 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 54) = ( 0.5036518 0.5036518 0.0103572), wk = 0.0028571 k( 55) = ( 0.5073037 0.5073037 0.0207144), wk = 0.0028571 k( 56) = ( 0.5109555 0.5109555 0.0310716), wk = 0.0028571 k( 57) = ( 0.5146074 0.5146074 0.0414289), wk = 0.0028571 k( 58) = ( 0.5182592 0.5182592 0.0517861), wk = 0.0028571 k( 59) = ( 0.5219110 0.5219110 0.0621433), wk = 0.0028571 k( 60) = ( 0.5255629 0.5255629 0.0725005), wk = 0.0028571 k( 61) = ( 0.5292147 0.5292147 0.0828577), wk = 0.0028571 k( 62) = ( 0.5328665 0.5328665 0.0932149), wk = 0.0028571 k( 63) = ( 0.5365184 0.5365184 0.1035722), wk = 0.0028571 k( 64) = ( 0.5401702 0.5401702 0.1139294), wk = 0.0028571 k( 65) = ( 0.5438221 0.5438221 0.1242866), wk = 0.0028571 k( 66) = ( 0.5474739 0.5474739 0.1346438), wk = 0.0028571 k( 67) = ( 0.5511257 0.5511257 0.1450010), wk = 0.0028571 k( 68) = ( 0.5547776 0.5547776 0.1553582), wk = 0.0028571 k( 69) = ( 0.5584294 0.5584294 0.1657155), wk = 0.0028571 k( 70) = ( 0.5620812 0.5620813 0.1760727), wk = 0.0028571 k( 71) = ( 0.5657331 0.5657331 0.1864299), wk = 0.0028571 k( 72) = ( 0.5693849 0.5693849 0.1967871), wk = 0.0028571 k( 73) = ( 0.5730368 0.5730368 0.2071443), wk = 0.0028571 k( 74) = ( 0.5766886 0.5766886 0.2175015), wk = 0.0028571 k( 75) = ( 0.5803404 0.5803404 0.2278587), wk = 0.0028571 k( 76) = ( 0.5839923 0.5839923 0.2382160), wk = 0.0028571 k( 77) = ( 0.5876441 0.5876441 0.2485732), wk = 0.0028571 k( 78) = ( 0.5912960 0.5912960 0.2589304), wk = 0.0028571 k( 79) = ( 0.5949478 0.5949478 0.2692876), wk = 0.0028571 k( 80) = ( 0.5985996 0.5985996 0.2796448), wk = 0.0028571 k( 81) = ( 0.6022515 0.6022515 0.2900021), wk = 0.0028571 k( 82) = ( 0.6059033 0.6059033 0.3003593), wk = 0.0028571 k( 83) = ( 0.6095552 0.6095552 0.3107165), wk = 0.0028571 k( 84) = ( 0.6132070 0.6132070 0.3210737), wk = 0.0028571 k( 85) = ( 0.6168588 0.6168588 0.3314309), wk = 0.0028571 k( 86) = ( 0.6205107 0.6205107 0.3417881), wk = 0.0028571 k( 87) = ( 0.6241625 0.6241625 0.3521454), wk = 0.0028571 k( 88) = ( 0.6278143 0.6278143 0.3625026), wk = 0.0028571 k( 89) = ( 0.6314662 0.6314662 0.3728598), wk = 0.0028571 k( 90) = ( 0.6314662 0.6314662 0.3728598), wk = 0.0028571 k( 91) = ( 0.6254904 0.6254904 0.3786389), wk = 0.0028571 k( 92) = ( 0.6195147 0.6195147 0.3844180), wk = 0.0028571 k( 93) = ( 0.6135390 0.6135390 0.3901971), wk = 0.0028571 k( 94) = ( 0.6075632 0.6075632 0.3959762), wk = 0.0028571 k( 95) = ( 0.6015875 0.6015875 0.4017553), wk = 0.0028571 k( 96) = ( 0.5956118 0.5956118 0.4075344), wk = 0.0028571 k( 97) = ( 0.5896360 0.5896360 0.4133135), wk = 0.0028571 k( 98) = ( 0.5836603 0.5836603 0.4190926), wk = 0.0028571 k( 99) = ( 0.5776846 0.5776846 0.4248717), wk = 0.0028571 k( 100) = ( 0.5717088 0.5717088 0.4306508), wk = 0.0028571 k( 101) = ( 0.5657331 0.5657331 0.4364299), wk = 0.0028571 k( 102) = ( 0.5597574 0.5597574 0.4422090), wk = 0.0028571 k( 103) = ( 0.5537816 0.5537816 0.4479881), wk = 0.0028571 k( 104) = ( 0.5478059 0.5478059 0.4537672), wk = 0.0028571 k( 105) = ( 0.5418302 0.5418302 0.4595463), wk = 0.0028571 k( 106) = ( 0.5358544 0.5358544 0.4653254), wk = 0.0028571 k( 107) = ( 0.5298787 0.5298787 0.4711045), wk = 0.0028571 k( 108) = ( 0.5239029 0.5239029 0.4768836), wk = 0.0028571 k( 109) = ( 0.5179272 0.5179272 0.4826627), wk = 0.0028571 k( 110) = ( 0.5119515 0.5119515 0.4884418), wk = 0.0028571 k( 111) = ( 0.5059757 0.5059757 0.4942209), wk = 0.0028571 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 114) = ( 0.5094538 0.4905462 0.5000000), wk = 0.0028571 k( 115) = ( 0.5189075 0.4810925 0.5000000), wk = 0.0028571 k( 116) = ( 0.5283613 0.4716387 0.5000000), wk = 0.0028571 k( 117) = ( 0.5378151 0.4621849 0.5000000), wk = 0.0028571 k( 118) = ( 0.5472689 0.4527311 0.5000000), wk = 0.0028571 k( 119) = ( 0.5567226 0.4432774 0.5000000), wk = 0.0028571 k( 120) = ( 0.5661764 0.4338236 0.5000000), wk = 0.0028571 k( 121) = ( 0.5756302 0.4243698 0.5000000), wk = 0.0028571 k( 122) = ( 0.5850840 0.4149160 0.5000000), wk = 0.0028571 k( 123) = ( 0.5945377 0.4054623 0.5000000), wk = 0.0028571 k( 124) = ( 0.6039915 0.3960085 0.5000000), wk = 0.0028571 k( 125) = ( 0.6134453 0.3865547 0.5000000), wk = 0.0028571 k( 126) = ( 0.6228991 0.3771010 0.5000000), wk = 0.0028571 k( 127) = ( 0.6323528 0.3676472 0.5000000), wk = 0.0028571 k( 128) = ( 0.6418066 0.3581934 0.5000000), wk = 0.0028571 k( 129) = ( 0.6512604 0.3487396 0.5000000), wk = 0.0028571 k( 130) = ( 0.6607142 0.3392859 0.5000000), wk = 0.0028571 k( 131) = ( 0.6701679 0.3298321 0.5000000), wk = 0.0028571 k( 132) = ( 0.6796217 0.3203783 0.5000000), wk = 0.0028571 k( 133) = ( 0.3203783 -0.3203783 0.5000000), wk = 0.0028571 k( 134) = ( 0.3106699 -0.3106699 0.5000000), wk = 0.0028571 k( 135) = ( 0.3009614 -0.3009614 0.5000000), wk = 0.0028571 k( 136) = ( 0.2912530 -0.2912530 0.5000000), wk = 0.0028571 k( 137) = ( 0.2815446 -0.2815446 0.5000000), wk = 0.0028571 k( 138) = ( 0.2718361 -0.2718361 0.5000000), wk = 0.0028571 k( 139) = ( 0.2621277 -0.2621277 0.5000000), wk = 0.0028571 k( 140) = ( 0.2524193 -0.2524193 0.5000000), wk = 0.0028571 k( 141) = ( 0.2427108 -0.2427108 0.5000000), wk = 0.0028571 k( 142) = ( 0.2330024 -0.2330024 0.5000000), wk = 0.0028571 k( 143) = ( 0.2232940 -0.2232940 0.5000000), wk = 0.0028571 k( 144) = ( 0.2135855 -0.2135855 0.5000000), wk = 0.0028571 k( 145) = ( 0.2038771 -0.2038771 0.5000000), wk = 0.0028571 k( 146) = ( 0.1941687 -0.1941687 0.5000000), wk = 0.0028571 k( 147) = ( 0.1844602 -0.1844602 0.5000000), wk = 0.0028571 k( 148) = ( 0.1747518 -0.1747518 0.5000000), wk = 0.0028571 k( 149) = ( 0.1650434 -0.1650434 0.5000000), wk = 0.0028571 k( 150) = ( 0.1553349 -0.1553349 0.5000000), wk = 0.0028571 k( 151) = ( 0.1456265 -0.1456265 0.5000000), wk = 0.0028571 k( 152) = ( 0.1359181 -0.1359181 0.5000000), wk = 0.0028571 k( 153) = ( 0.1262096 -0.1262096 0.5000000), wk = 0.0028571 k( 154) = ( 0.1165012 -0.1165012 0.5000000), wk = 0.0028571 k( 155) = ( 0.1067928 -0.1067928 0.5000000), wk = 0.0028571 k( 156) = ( 0.0970843 -0.0970843 0.5000000), wk = 0.0028571 k( 157) = ( 0.0873759 -0.0873759 0.5000000), wk = 0.0028571 k( 158) = ( 0.0776675 -0.0776675 0.5000000), wk = 0.0028571 k( 159) = ( 0.0679590 -0.0679590 0.5000000), wk = 0.0028571 k( 160) = ( 0.0582506 -0.0582506 0.5000000), wk = 0.0028571 k( 161) = ( 0.0485422 -0.0485422 0.5000000), wk = 0.0028571 k( 162) = ( 0.0388337 -0.0388337 0.5000000), wk = 0.0028571 k( 163) = ( 0.0291253 -0.0291253 0.5000000), wk = 0.0028571 k( 164) = ( 0.0194169 -0.0194169 0.5000000), wk = 0.0028571 k( 165) = ( 0.0097084 -0.0097084 0.5000000), wk = 0.0028571 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 168) = ( 0.0105295 0.0105295 0.5036326), wk = 0.0028571 k( 169) = ( 0.0210591 0.0210591 0.5072652), wk = 0.0028571 k( 170) = ( 0.0315886 0.0315886 0.5108977), wk = 0.0028571 k( 171) = ( 0.0421182 0.0421182 0.5145303), wk = 0.0028571 k( 172) = ( 0.0526477 0.0526477 0.5181629), wk = 0.0028571 k( 173) = ( 0.0631772 0.0631772 0.5217955), wk = 0.0028571 k( 174) = ( 0.0737068 0.0737068 0.5254280), wk = 0.0028571 k( 175) = ( 0.0842363 0.0842363 0.5290606), wk = 0.0028571 k( 176) = ( 0.0947658 0.0947658 0.5326932), wk = 0.0028571 k( 177) = ( 0.1052954 0.1052954 0.5363258), wk = 0.0028571 k( 178) = ( 0.1158249 0.1158249 0.5399584), wk = 0.0028571 k( 179) = ( 0.1263545 0.1263545 0.5435909), wk = 0.0028571 k( 180) = ( 0.1368840 0.1368840 0.5472235), wk = 0.0028571 k( 181) = ( 0.1474135 0.1474135 0.5508561), wk = 0.0028571 k( 182) = ( 0.1579431 0.1579431 0.5544887), wk = 0.0028571 k( 183) = ( 0.1684726 0.1684726 0.5581212), wk = 0.0028571 k( 184) = ( 0.1790021 0.1790021 0.5617538), wk = 0.0028571 k( 185) = ( 0.1895317 0.1895317 0.5653864), wk = 0.0028571 k( 186) = ( 0.2000612 0.2000612 0.5690190), wk = 0.0028571 k( 187) = ( 0.2105908 0.2105908 0.5726516), wk = 0.0028571 k( 188) = ( 0.2211203 0.2211203 0.5762841), wk = 0.0028571 k( 189) = ( 0.2316498 0.2316498 0.5799167), wk = 0.0028571 k( 190) = ( 0.2421794 0.2421794 0.5835493), wk = 0.0028571 k( 191) = ( 0.2527089 0.2527089 0.5871819), wk = 0.0028571 k( 192) = ( 0.2632384 0.2632384 0.5908144), wk = 0.0028571 k( 193) = ( 0.2737680 0.2737680 0.5944470), wk = 0.0028571 k( 194) = ( 0.2842975 0.2842975 0.5980796), wk = 0.0028571 k( 195) = ( 0.2948271 0.2948271 0.6017122), wk = 0.0028571 k( 196) = ( 0.3053566 0.3053566 0.6053448), wk = 0.0028571 k( 197) = ( 0.3158861 0.3158861 0.6089773), wk = 0.0028571 k( 198) = ( 0.3264157 0.3264157 0.6126099), wk = 0.0028571 k( 199) = ( 0.3369452 0.3369452 0.6162425), wk = 0.0028571 k( 200) = ( 0.3474747 0.3474747 0.6198751), wk = 0.0028571 k( 201) = ( 0.3580043 0.3580043 0.6235076), wk = 0.0028571 k( 202) = ( 0.3685338 0.3685338 0.6271402), wk = 0.0028571 k( 203) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 204) = ( 0.5056429 0.4943571 -0.0000000), wk = 0.0028571 k( 205) = ( 0.5112858 0.4887142 -0.0000000), wk = 0.0028571 k( 206) = ( 0.4887142 -0.4887142 0.0000000), wk = 0.0028571 k( 207) = ( 0.4791316 -0.4791316 -0.0000000), wk = 0.0028571 k( 208) = ( 0.4695490 -0.4695490 -0.0000000), wk = 0.0028571 k( 209) = ( 0.4599663 -0.4599663 -0.0000000), wk = 0.0028571 k( 210) = ( 0.4503837 -0.4503837 -0.0000000), wk = 0.0028571 k( 211) = ( 0.4408011 -0.4408011 -0.0000000), wk = 0.0028571 k( 212) = ( 0.4312184 -0.4312184 -0.0000000), wk = 0.0028571 k( 213) = ( 0.4216358 -0.4216358 -0.0000000), wk = 0.0028571 k( 214) = ( 0.4120532 -0.4120532 -0.0000000), wk = 0.0028571 k( 215) = ( 0.4024705 -0.4024705 -0.0000000), wk = 0.0028571 k( 216) = ( 0.3928879 -0.3928879 -0.0000000), wk = 0.0028571 k( 217) = ( 0.3833053 -0.3833053 -0.0000000), wk = 0.0028571 k( 218) = ( 0.3737226 -0.3737227 0.0000000), wk = 0.0028571 k( 219) = ( 0.3641400 -0.3641400 -0.0000000), wk = 0.0028571 k( 220) = ( 0.3545574 -0.3545574 0.0000000), wk = 0.0028571 k( 221) = ( 0.3449747 -0.3449748 0.0000000), wk = 0.0028571 k( 222) = ( 0.3353921 -0.3353921 -0.0000000), wk = 0.0028571 k( 223) = ( 0.3258095 -0.3258095 0.0000000), wk = 0.0028571 k( 224) = ( 0.3162269 -0.3162269 -0.0000000), wk = 0.0028571 k( 225) = ( 0.3066442 -0.3066442 -0.0000000), wk = 0.0028571 k( 226) = ( 0.2970616 -0.2970616 -0.0000000), wk = 0.0028571 k( 227) = ( 0.2874790 -0.2874790 -0.0000000), wk = 0.0028571 k( 228) = ( 0.2778963 -0.2778963 -0.0000000), wk = 0.0028571 k( 229) = ( 0.2683137 -0.2683137 -0.0000000), wk = 0.0028571 k( 230) = ( 0.2587311 -0.2587311 -0.0000000), wk = 0.0028571 k( 231) = ( 0.2491484 -0.2491484 -0.0000000), wk = 0.0028571 k( 232) = ( 0.2395658 -0.2395658 -0.0000000), wk = 0.0028571 k( 233) = ( 0.2299832 -0.2299832 0.0000000), wk = 0.0028571 k( 234) = ( 0.2204005 -0.2204005 -0.0000000), wk = 0.0028571 k( 235) = ( 0.2108179 -0.2108179 -0.0000000), wk = 0.0028571 k( 236) = ( 0.2012353 -0.2012353 -0.0000000), wk = 0.0028571 k( 237) = ( 0.1916526 -0.1916526 -0.0000000), wk = 0.0028571 k( 238) = ( 0.1820700 -0.1820700 -0.0000000), wk = 0.0028571 k( 239) = ( 0.1724874 -0.1724874 -0.0000000), wk = 0.0028571 k( 240) = ( 0.1629047 -0.1629047 -0.0000000), wk = 0.0028571 k( 241) = ( 0.1533221 -0.1533221 -0.0000000), wk = 0.0028571 k( 242) = ( 0.1437395 -0.1437395 -0.0000000), wk = 0.0028571 k( 243) = ( 0.1341568 -0.1341569 -0.0000000), wk = 0.0028571 k( 244) = ( 0.1245742 -0.1245742 -0.0000000), wk = 0.0028571 k( 245) = ( 0.1149916 -0.1149916 0.0000000), wk = 0.0028571 k( 246) = ( 0.1054090 -0.1054090 -0.0000000), wk = 0.0028571 k( 247) = ( 0.0958263 -0.0958263 -0.0000000), wk = 0.0028571 k( 248) = ( 0.0862437 -0.0862437 -0.0000000), wk = 0.0028571 k( 249) = ( 0.0766611 -0.0766611 -0.0000000), wk = 0.0028571 k( 250) = ( 0.0670784 -0.0670784 -0.0000000), wk = 0.0028571 k( 251) = ( 0.0574958 -0.0574958 0.0000000), wk = 0.0028571 k( 252) = ( 0.0479132 -0.0479132 -0.0000000), wk = 0.0028571 k( 253) = ( 0.0383305 -0.0383305 -0.0000000), wk = 0.0028571 k( 254) = ( 0.0287479 -0.0287479 -0.0000000), wk = 0.0028571 k( 255) = ( 0.0191653 -0.0191653 -0.0000000), wk = 0.0028571 k( 256) = ( 0.0095826 -0.0095826 -0.0000000), wk = 0.0028571 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 258) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 259) = ( 0.0138889 0.0000000 -0.0000000), wk = 0.0028571 k( 260) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0028571 k( 261) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0028571 k( 262) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0028571 k( 263) = ( 0.0694444 0.0000000 -0.0000000), wk = 0.0028571 k( 264) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0028571 k( 265) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0028571 k( 266) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028571 k( 267) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028571 k( 268) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0028571 k( 269) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0028571 k( 270) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0028571 k( 271) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0028571 k( 272) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0028571 k( 273) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0028571 k( 274) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028571 k( 275) = ( 0.2361111 0.0000000 -0.0000000), wk = 0.0028571 k( 276) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028571 k( 277) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0028571 k( 278) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0028571 k( 279) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0028571 k( 280) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0028571 k( 281) = ( 0.3194444 0.0000000 -0.0000000), wk = 0.0028571 k( 282) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028571 k( 283) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0028571 k( 284) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0028571 k( 285) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0028571 k( 286) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0028571 k( 287) = ( 0.4027778 0.0000000 -0.0000000), wk = 0.0028571 k( 288) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028571 k( 289) = ( 0.4305556 0.0000000 -0.0000000), wk = 0.0028571 k( 290) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028571 k( 291) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0028571 k( 292) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0028571 k( 293) = ( 0.4861111 0.0000000 -0.0000000), wk = 0.0028571 k( 294) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028571 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 296) = ( 0.4909091 0.0000000 0.4909091), wk = 0.0028571 k( 297) = ( 0.4818182 -0.0000000 0.4818182), wk = 0.0028571 k( 298) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0028571 k( 299) = ( 0.4636364 -0.0000000 0.4636364), wk = 0.0028571 k( 300) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0028571 k( 301) = ( 0.4454546 -0.0000000 0.4454546), wk = 0.0028571 k( 302) = ( 0.4363636 -0.0000000 0.4363636), wk = 0.0028571 k( 303) = ( 0.4272727 -0.0000000 0.4272727), wk = 0.0028571 k( 304) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0028571 k( 305) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0028571 k( 306) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0028571 k( 307) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0028571 k( 308) = ( 0.3818182 -0.0000000 0.3818182), wk = 0.0028571 k( 309) = ( 0.3727273 0.0000000 0.3727273), wk = 0.0028571 k( 310) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0028571 k( 311) = ( 0.3545454 0.0000000 0.3545454), wk = 0.0028571 k( 312) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0028571 k( 313) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0028571 k( 314) = ( 0.3272727 0.0000000 0.3272727), wk = 0.0028571 k( 315) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0028571 k( 316) = ( 0.3090909 0.0000000 0.3090909), wk = 0.0028571 k( 317) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0028571 k( 318) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0028571 k( 319) = ( 0.2818182 -0.0000000 0.2818182), wk = 0.0028571 k( 320) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0028571 k( 321) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0028571 k( 322) = ( 0.2545455 -0.0000000 0.2545455), wk = 0.0028571 k( 323) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0028571 k( 324) = ( 0.2363636 -0.0000000 0.2363636), wk = 0.0028571 k( 325) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0028571 k( 326) = ( 0.2181818 -0.0000000 0.2181818), wk = 0.0028571 k( 327) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0028571 k( 328) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0028571 k( 329) = ( 0.1909091 -0.0000000 0.1909091), wk = 0.0028571 k( 330) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0028571 k( 331) = ( 0.1727273 0.0000000 0.1727273), wk = 0.0028571 k( 332) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0028571 k( 333) = ( 0.1545455 -0.0000000 0.1545455), wk = 0.0028571 k( 334) = ( 0.1454545 0.0000000 0.1454545), wk = 0.0028571 k( 335) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0028571 k( 336) = ( 0.1272727 0.0000000 0.1272727), wk = 0.0028571 k( 337) = ( 0.1181818 -0.0000000 0.1181818), wk = 0.0028571 k( 338) = ( 0.1090909 -0.0000000 0.1090909), wk = 0.0028571 k( 339) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0028571 k( 340) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0028571 k( 341) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0028571 k( 342) = ( 0.0727273 0.0000000 0.0727273), wk = 0.0028571 k( 343) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0028571 k( 344) = ( 0.0545455 -0.0000000 0.0545455), wk = 0.0028571 k( 345) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0028571 k( 346) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0028571 k( 347) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0028571 k( 348) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0028571 k( 349) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0028571 k( 350) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 Dense grid: 70225 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 17965 G-vectors FFT dimensions: ( 40, 40, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 140, 38) NL pseudopotentials 0.07 Mb ( 70, 68) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1950) G-vector shells 0.01 Mb ( 1917) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 140, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.08 Mb ( 68, 2, 38) The potential is recalculated from file : ./Bi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.3 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.1 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.5 secs Computing kpt #: 33 total cpu time spent up to now is 6.7 secs Computing kpt #: 34 total cpu time spent up to now is 6.9 secs Computing kpt #: 35 total cpu time spent up to now is 7.1 secs Computing kpt #: 36 total cpu time spent up to now is 7.3 secs Computing kpt #: 37 total cpu time spent up to now is 7.5 secs Computing kpt #: 38 total cpu time spent up to now is 7.7 secs Computing kpt #: 39 total cpu time spent up to now is 7.9 secs Computing kpt #: 40 total cpu time spent up to now is 8.1 secs Computing kpt #: 41 total cpu time spent up to now is 8.3 secs Computing kpt #: 42 total cpu time spent up to now is 8.5 secs Computing kpt #: 43 total cpu time spent up to now is 8.7 secs Computing kpt #: 44 total cpu time spent up to now is 8.9 secs Computing kpt #: 45 total cpu time spent up to now is 9.1 secs Computing kpt #: 46 total cpu time spent up to now is 9.2 secs Computing kpt #: 47 total cpu time spent up to now is 9.4 secs Computing kpt #: 48 total cpu time spent up to now is 9.6 secs Computing kpt #: 49 total cpu time spent up to now is 9.8 secs Computing kpt #: 50 total cpu time spent up to now is 10.0 secs Computing kpt #: 51 total cpu time spent up to now is 10.1 secs Computing kpt #: 52 total cpu time spent up to now is 10.3 secs Computing kpt #: 53 total cpu time spent up to now is 10.5 secs Computing kpt #: 54 total cpu time spent up to now is 10.7 secs Computing kpt #: 55 total cpu time spent up to now is 10.9 secs Computing kpt #: 56 total cpu time spent up to now is 11.1 secs Computing kpt #: 57 total cpu time spent up to now is 11.2 secs Computing kpt #: 58 total cpu time spent up to now is 11.4 secs Computing kpt #: 59 total cpu time spent up to now is 11.6 secs Computing kpt #: 60 total cpu time spent up to now is 11.8 secs Computing kpt #: 61 total cpu time spent up to now is 12.0 secs Computing kpt #: 62 total cpu time spent up to now is 12.2 secs Computing kpt #: 63 total cpu time spent up to now is 12.4 secs Computing kpt #: 64 total cpu time spent up to now is 12.6 secs Computing kpt #: 65 total cpu time spent up to now is 12.8 secs Computing kpt #: 66 total cpu time spent up to now is 13.0 secs Computing kpt #: 67 total cpu time spent up to now is 13.2 secs Computing kpt #: 68 total cpu time spent up to now is 13.5 secs Computing kpt #: 69 total cpu time spent up to now is 13.7 secs Computing kpt #: 70 total cpu time spent up to now is 13.9 secs Computing kpt #: 71 total cpu time spent up to now is 14.1 secs Computing kpt #: 72 total cpu time spent up to now is 14.3 secs Computing kpt #: 73 total cpu time spent up to now is 14.5 secs Computing kpt #: 74 total cpu time spent up to now is 14.7 secs Computing kpt #: 75 total cpu time spent up to now is 14.9 secs Computing kpt #: 76 total cpu time spent up to now is 15.1 secs Computing kpt #: 77 total cpu time spent up to now is 15.3 secs Computing kpt #: 78 total cpu time spent up to now is 15.5 secs Computing kpt #: 79 total cpu time spent up to now is 15.7 secs Computing kpt #: 80 total cpu time spent up to now is 15.9 secs Computing kpt #: 81 total cpu time spent up to now is 16.1 secs Computing kpt #: 82 total cpu time spent up to now is 16.3 secs Computing kpt #: 83 total cpu time spent up to now is 16.4 secs Computing kpt #: 84 total cpu time spent up to now is 16.6 secs Computing kpt #: 85 total cpu time spent up to now is 16.8 secs Computing kpt #: 86 total cpu time spent up to now is 17.0 secs Computing kpt #: 87 total cpu time spent up to now is 17.1 secs Computing kpt #: 88 total cpu time spent up to now is 17.3 secs Computing kpt #: 89 total cpu time spent up to now is 17.5 secs Computing kpt #: 90 total cpu time spent up to now is 17.6 secs Computing kpt #: 91 total cpu time spent up to now is 17.8 secs Computing kpt #: 92 total cpu time spent up to now is 18.0 secs Computing kpt #: 93 total cpu time spent up to now is 18.2 secs Computing kpt #: 94 total cpu time spent up to now is 18.3 secs Computing kpt #: 95 total cpu time spent up to now is 18.5 secs Computing kpt #: 96 total cpu time spent up to now is 18.6 secs Computing kpt #: 97 total cpu time spent up to now is 18.8 secs Computing kpt #: 98 total cpu time spent up to now is 19.0 secs Computing kpt #: 99 total cpu time spent up to now is 19.1 secs Computing kpt #: 100 total cpu time spent up to now is 19.3 secs Computing kpt #: 101 total cpu time spent up to now is 19.5 secs Computing kpt #: 102 total cpu time spent up to now is 19.6 secs Computing kpt #: 103 total cpu time spent up to now is 19.8 secs Computing kpt #: 104 total cpu time spent up to now is 19.9 secs Computing kpt #: 105 total cpu time spent up to now is 20.1 secs Computing kpt #: 106 total cpu time spent up to now is 20.3 secs Computing kpt #: 107 total cpu time spent up to now is 20.4 secs Computing kpt #: 108 total cpu time spent up to now is 20.6 secs Computing kpt #: 109 total cpu time spent up to now is 20.8 secs Computing kpt #: 110 total cpu time spent up to now is 20.9 secs Computing kpt #: 111 total cpu time spent up to now is 21.1 secs Computing kpt #: 112 total cpu time spent up to now is 21.2 secs Computing kpt #: 113 total cpu time spent up to now is 21.4 secs Computing kpt #: 114 total cpu time spent up to now is 21.6 secs Computing kpt #: 115 total cpu time spent up to now is 21.7 secs Computing kpt #: 116 total cpu time spent up to now is 21.9 secs Computing kpt #: 117 total cpu time spent up to now is 22.1 secs Computing kpt #: 118 total cpu time spent up to now is 22.2 secs Computing kpt #: 119 total cpu time spent up to now is 22.4 secs Computing kpt #: 120 total cpu time spent up to now is 22.6 secs Computing kpt #: 121 total cpu time spent up to now is 22.7 secs Computing kpt #: 122 total cpu time spent up to now is 22.9 secs Computing kpt #: 123 total cpu time spent up to now is 23.1 secs Computing kpt #: 124 total cpu time spent up to now is 23.3 secs Computing kpt #: 125 total cpu time spent up to now is 23.5 secs Computing kpt #: 126 total cpu time spent up to now is 23.7 secs Computing kpt #: 127 total cpu time spent up to now is 23.8 secs Computing kpt #: 128 total cpu time spent up to now is 24.0 secs Computing kpt #: 129 total cpu time spent up to now is 24.2 secs Computing kpt #: 130 total cpu time spent up to now is 24.4 secs Computing kpt #: 131 total cpu time spent up to now is 24.6 secs Computing kpt #: 132 total cpu time spent up to now is 24.8 secs Computing kpt #: 133 total cpu time spent up to now is 25.0 secs Computing kpt #: 134 total cpu time spent up to now is 25.2 secs Computing kpt #: 135 total cpu time spent up to now is 25.4 secs Computing kpt #: 136 total cpu time spent up to now is 25.6 secs Computing kpt #: 137 total cpu time spent up to now is 25.8 secs Computing kpt #: 138 total cpu time spent up to now is 26.0 secs Computing kpt #: 139 total cpu time spent up to now is 26.2 secs Computing kpt #: 140 total cpu time spent up to now is 26.4 secs Computing kpt #: 141 total cpu time spent up to now is 26.6 secs Computing kpt #: 142 total cpu time spent up to now is 26.8 secs Computing kpt #: 143 total cpu time spent up to now is 27.0 secs Computing kpt #: 144 total cpu time spent up to now is 27.2 secs Computing kpt #: 145 total cpu time spent up to now is 27.4 secs Computing kpt #: 146 total cpu time spent up to now is 27.6 secs Computing kpt #: 147 total cpu time spent up to now is 27.8 secs Computing kpt #: 148 total cpu time spent up to now is 28.0 secs Computing kpt #: 149 total cpu time spent up to now is 28.2 secs Computing kpt #: 150 total cpu time spent up to now is 28.4 secs Computing kpt #: 151 total cpu time spent up to now is 28.6 secs Computing kpt #: 152 total cpu time spent up to now is 28.8 secs Computing kpt #: 153 total cpu time spent up to now is 29.0 secs Computing kpt #: 154 total cpu time spent up to now is 29.2 secs Computing kpt #: 155 total cpu time spent up to now is 29.4 secs Computing kpt #: 156 total cpu time spent up to now is 29.6 secs Computing kpt #: 157 total cpu time spent up to now is 29.8 secs Computing kpt #: 158 total cpu time spent up to now is 30.0 secs Computing kpt #: 159 total cpu time spent up to now is 30.3 secs Computing kpt #: 160 total cpu time spent up to now is 30.5 secs Computing kpt #: 161 total cpu time spent up to now is 30.7 secs Computing kpt #: 162 total cpu time spent up to now is 30.9 secs Computing kpt #: 163 total cpu time spent up to now is 31.2 secs Computing kpt #: 164 total cpu time spent up to now is 31.5 secs Computing kpt #: 165 total cpu time spent up to now is 31.7 secs Computing kpt #: 166 total cpu time spent up to now is 32.0 secs Computing kpt #: 167 total cpu time spent up to now is 32.2 secs Computing kpt #: 168 total cpu time spent up to now is 32.5 secs Computing kpt #: 169 total cpu time spent up to now is 32.8 secs Computing kpt #: 170 total cpu time spent up to now is 33.0 secs Computing kpt #: 171 total cpu time spent up to now is 33.2 secs Computing kpt #: 172 total cpu time spent up to now is 33.3 secs Computing kpt #: 173 total cpu time spent up to now is 33.5 secs Computing kpt #: 174 total cpu time spent up to now is 33.7 secs Computing kpt #: 175 total cpu time spent up to now is 33.9 secs Computing kpt #: 176 total cpu time spent up to now is 34.1 secs Computing kpt #: 177 total cpu time spent up to now is 34.3 secs Computing kpt #: 178 total cpu time spent up to now is 34.4 secs Computing kpt #: 179 total cpu time spent up to now is 34.6 secs Computing kpt #: 180 total cpu time spent up to now is 34.8 secs Computing kpt #: 181 total cpu time spent up to now is 35.0 secs Computing kpt #: 182 total cpu time spent up to now is 35.2 secs Computing kpt #: 183 total cpu time spent up to now is 35.4 secs Computing kpt #: 184 total cpu time spent up to now is 35.6 secs Computing kpt #: 185 total cpu time spent up to now is 35.8 secs Computing kpt #: 186 total cpu time spent up to now is 35.9 secs Computing kpt #: 187 total cpu time spent up to now is 36.1 secs Computing kpt #: 188 total cpu time spent up to now is 36.3 secs Computing kpt #: 189 total cpu time spent up to now is 36.5 secs Computing kpt #: 190 total cpu time spent up to now is 36.7 secs Computing kpt #: 191 total cpu time spent up to now is 36.9 secs Computing kpt #: 192 total cpu time spent up to now is 37.1 secs Computing kpt #: 193 total cpu time spent up to now is 37.3 secs Computing kpt #: 194 total cpu time spent up to now is 37.5 secs Computing kpt #: 195 total cpu time spent up to now is 37.7 secs Computing kpt #: 196 total cpu time spent up to now is 37.9 secs Computing kpt #: 197 total cpu time spent up to now is 38.1 secs Computing kpt #: 198 total cpu time spent up to now is 38.3 secs Computing kpt #: 199 total cpu time spent up to now is 38.5 secs Computing kpt #: 200 total cpu time spent up to now is 38.7 secs Computing kpt #: 201 total cpu time spent up to now is 38.8 secs Computing kpt #: 202 total cpu time spent up to now is 39.0 secs Computing kpt #: 203 total cpu time spent up to now is 39.2 secs Computing kpt #: 204 total cpu time spent up to now is 39.4 secs Computing kpt #: 205 total cpu time spent up to now is 39.5 secs Computing kpt #: 206 total cpu time spent up to now is 39.7 secs Computing kpt #: 207 total cpu time spent up to now is 39.9 secs Computing kpt #: 208 total cpu time spent up to now is 40.1 secs Computing kpt #: 209 total cpu time spent up to now is 40.3 secs Computing kpt #: 210 total cpu time spent up to now is 40.5 secs Computing kpt #: 211 total cpu time spent up to now is 40.6 secs Computing kpt #: 212 total cpu time spent up to now is 40.8 secs Computing kpt #: 213 total cpu time spent up to now is 41.0 secs Computing kpt #: 214 total cpu time spent up to now is 41.2 secs Computing kpt #: 215 total cpu time spent up to now is 41.4 secs Computing kpt #: 216 total cpu time spent up to now is 41.5 secs Computing kpt #: 217 total cpu time spent up to now is 41.7 secs Computing kpt #: 218 total cpu time spent up to now is 41.9 secs Computing kpt #: 219 total cpu time spent up to now is 42.1 secs Computing kpt #: 220 total cpu time spent up to now is 42.3 secs Computing kpt #: 221 total cpu time spent up to now is 42.5 secs Computing kpt #: 222 total cpu time spent up to now is 42.7 secs Computing kpt #: 223 total cpu time spent up to now is 42.9 secs Computing kpt #: 224 total cpu time spent up to now is 43.1 secs Computing kpt #: 225 total cpu time spent up to now is 43.2 secs Computing kpt #: 226 total cpu time spent up to now is 43.4 secs Computing kpt #: 227 total cpu time spent up to now is 43.6 secs Computing kpt #: 228 total cpu time spent up to now is 43.8 secs Computing kpt #: 229 total cpu time spent up to now is 44.0 secs Computing kpt #: 230 total cpu time spent up to now is 44.2 secs Computing kpt #: 231 total cpu time spent up to now is 44.3 secs Computing kpt #: 232 total cpu time spent up to now is 44.5 secs Computing kpt #: 233 total cpu time spent up to now is 44.7 secs Computing kpt #: 234 total cpu time spent up to now is 44.8 secs Computing kpt #: 235 total cpu time spent up to now is 45.0 secs Computing kpt #: 236 total cpu time spent up to now is 45.1 secs Computing kpt #: 237 total cpu time spent up to now is 45.3 secs Computing kpt #: 238 total cpu time spent up to now is 45.4 secs Computing kpt #: 239 total cpu time spent up to now is 45.6 secs Computing kpt #: 240 total cpu time spent up to now is 45.7 secs Computing kpt #: 241 total cpu time spent up to now is 45.9 secs Computing kpt #: 242 total cpu time spent up to now is 46.0 secs Computing kpt #: 243 total cpu time spent up to now is 46.1 secs Computing kpt #: 244 total cpu time spent up to now is 46.3 secs Computing kpt #: 245 total cpu time spent up to now is 46.4 secs Computing kpt #: 246 total cpu time spent up to now is 46.6 secs Computing kpt #: 247 total cpu time spent up to now is 46.7 secs Computing kpt #: 248 total cpu time spent up to now is 46.9 secs Computing kpt #: 249 total cpu time spent up to now is 47.1 secs Computing kpt #: 250 total cpu time spent up to now is 47.2 secs Computing kpt #: 251 total cpu time spent up to now is 47.4 secs Computing kpt #: 252 total cpu time spent up to now is 47.5 secs Computing kpt #: 253 total cpu time spent up to now is 47.7 secs Computing kpt #: 254 total cpu time spent up to now is 47.8 secs Computing kpt #: 255 total cpu time spent up to now is 48.0 secs Computing kpt #: 256 total cpu time spent up to now is 48.1 secs Computing kpt #: 257 total cpu time spent up to now is 48.2 secs Computing kpt #: 258 total cpu time spent up to now is 48.4 secs Computing kpt #: 259 total cpu time spent up to now is 48.5 secs Computing kpt #: 260 total cpu time spent up to now is 48.7 secs Computing kpt #: 261 total cpu time spent up to now is 48.8 secs Computing kpt #: 262 total cpu time spent up to now is 49.0 secs Computing kpt #: 263 total cpu time spent up to now is 49.1 secs Computing kpt #: 264 total cpu time spent up to now is 49.3 secs Computing kpt #: 265 total cpu time spent up to now is 49.4 secs Computing kpt #: 266 total cpu time spent up to now is 49.6 secs Computing kpt #: 267 total cpu time spent up to now is 49.7 secs Computing kpt #: 268 total cpu time spent up to now is 49.9 secs Computing kpt #: 269 total cpu time spent up to now is 50.0 secs Computing kpt #: 270 total cpu time spent up to now is 50.2 secs Computing kpt #: 271 total cpu time spent up to now is 50.3 secs Computing kpt #: 272 total cpu time spent up to now is 50.5 secs Computing kpt #: 273 total cpu time spent up to now is 50.6 secs Computing kpt #: 274 total cpu time spent up to now is 50.7 secs Computing kpt #: 275 total cpu time spent up to now is 50.9 secs Computing kpt #: 276 total cpu time spent up to now is 51.0 secs Computing kpt #: 277 total cpu time spent up to now is 51.2 secs Computing kpt #: 278 total cpu time spent up to now is 51.3 secs Computing kpt #: 279 total cpu time spent up to now is 51.5 secs Computing kpt #: 280 total cpu time spent up to now is 51.7 secs Computing kpt #: 281 total cpu time spent up to now is 51.8 secs Computing kpt #: 282 total cpu time spent up to now is 52.0 secs Computing kpt #: 283 total cpu time spent up to now is 52.2 secs Computing kpt #: 284 total cpu time spent up to now is 52.3 secs Computing kpt #: 285 total cpu time spent up to now is 52.5 secs Computing kpt #: 286 total cpu time spent up to now is 52.7 secs Computing kpt #: 287 total cpu time spent up to now is 52.9 secs Computing kpt #: 288 total cpu time spent up to now is 53.1 secs Computing kpt #: 289 total cpu time spent up to now is 53.3 secs Computing kpt #: 290 total cpu time spent up to now is 53.6 secs Computing kpt #: 291 total cpu time spent up to now is 53.8 secs Computing kpt #: 292 total cpu time spent up to now is 54.0 secs Computing kpt #: 293 total cpu time spent up to now is 54.1 secs Computing kpt #: 294 total cpu time spent up to now is 54.3 secs Computing kpt #: 295 total cpu time spent up to now is 54.5 secs Computing kpt #: 296 total cpu time spent up to now is 54.7 secs Computing kpt #: 297 total cpu time spent up to now is 54.9 secs Computing kpt #: 298 total cpu time spent up to now is 55.1 secs Computing kpt #: 299 total cpu time spent up to now is 55.3 secs Computing kpt #: 300 total cpu time spent up to now is 55.5 secs Computing kpt #: 301 total cpu time spent up to now is 55.7 secs Computing kpt #: 302 total cpu time spent up to now is 55.9 secs Computing kpt #: 303 total cpu time spent up to now is 56.1 secs Computing kpt #: 304 total cpu time spent up to now is 56.3 secs Computing kpt #: 305 total cpu time spent up to now is 56.5 secs Computing kpt #: 306 total cpu time spent up to now is 56.7 secs Computing kpt #: 307 total cpu time spent up to now is 56.9 secs Computing kpt #: 308 total cpu time spent up to now is 57.1 secs Computing kpt #: 309 total cpu time spent up to now is 57.3 secs Computing kpt #: 310 total cpu time spent up to now is 57.5 secs Computing kpt #: 311 total cpu time spent up to now is 57.7 secs Computing kpt #: 312 total cpu time spent up to now is 57.9 secs Computing kpt #: 313 total cpu time spent up to now is 58.0 secs Computing kpt #: 314 total cpu time spent up to now is 58.2 secs Computing kpt #: 315 total cpu time spent up to now is 58.4 secs Computing kpt #: 316 total cpu time spent up to now is 58.6 secs Computing kpt #: 317 total cpu time spent up to now is 58.8 secs Computing kpt #: 318 total cpu time spent up to now is 58.9 secs Computing kpt #: 319 total cpu time spent up to now is 59.1 secs Computing kpt #: 320 total cpu time spent up to now is 59.2 secs Computing kpt #: 321 total cpu time spent up to now is 59.4 secs Computing kpt #: 322 total cpu time spent up to now is 59.6 secs Computing kpt #: 323 total cpu time spent up to now is 59.7 secs Computing kpt #: 324 total cpu time spent up to now is 59.9 secs Computing kpt #: 325 total cpu time spent up to now is 60.0 secs Computing kpt #: 326 total cpu time spent up to now is 60.2 secs Computing kpt #: 327 total cpu time spent up to now is 60.3 secs Computing kpt #: 328 total cpu time spent up to now is 60.5 secs Computing kpt #: 329 total cpu time spent up to now is 60.6 secs Computing kpt #: 330 total cpu time spent up to now is 60.7 secs Computing kpt #: 331 total cpu time spent up to now is 60.9 secs Computing kpt #: 332 total cpu time spent up to now is 61.0 secs Computing kpt #: 333 total cpu time spent up to now is 61.2 secs Computing kpt #: 334 total cpu time spent up to now is 61.3 secs Computing kpt #: 335 total cpu time spent up to now is 61.5 secs Computing kpt #: 336 total cpu time spent up to now is 61.6 secs Computing kpt #: 337 total cpu time spent up to now is 61.8 secs Computing kpt #: 338 total cpu time spent up to now is 61.9 secs Computing kpt #: 339 total cpu time spent up to now is 62.0 secs Computing kpt #: 340 total cpu time spent up to now is 62.2 secs Computing kpt #: 341 total cpu time spent up to now is 62.3 secs Computing kpt #: 342 total cpu time spent up to now is 62.5 secs Computing kpt #: 343 total cpu time spent up to now is 62.7 secs Computing kpt #: 344 total cpu time spent up to now is 62.8 secs Computing kpt #: 345 total cpu time spent up to now is 63.0 secs Computing kpt #: 346 total cpu time spent up to now is 63.1 secs Computing kpt #: 347 total cpu time spent up to now is 63.3 secs Computing kpt #: 348 total cpu time spent up to now is 63.4 secs Computing kpt #: 349 total cpu time spent up to now is 63.5 secs Computing kpt #: 350 total cpu time spent up to now is 63.7 secs ethr = 3.33E-08, avg # of iterations = 14.4 total cpu time spent up to now is 63.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2233 PWs) bands (ev): -12.8433 -12.8433 -12.8305 -12.8305 -12.8151 -12.8151 -12.7506 -12.7506 -9.9266 -9.9266 -9.9144 -9.9144 -9.8827 -9.8827 -9.8321 -9.8321 -9.7409 -9.7409 -9.6692 -9.6692 -1.9427 -1.9427 2.6843 2.6843 7.4976 7.4976 8.9748 8.9748 13.2639 13.2639 14.2494 14.2494 15.6382 15.6382 16.1465 16.1465 16.8134 16.8134 k = 0.0098 0.0090-0.0049 ( 2230 PWs) bands (ev): -12.8433 -12.8433 -12.8304 -12.8304 -12.8151 -12.8151 -12.7507 -12.7507 -9.9265 -9.9265 -9.9144 -9.9144 -9.8827 -9.8827 -9.8321 -9.8321 -9.7410 -9.7410 -9.6693 -9.6693 -1.9414 -1.9414 2.6804 2.6804 7.4993 7.4993 8.9773 8.9773 13.2575 13.2575 14.2550 14.2550 15.6342 15.6342 16.1331 16.1331 16.8142 16.8142 k = 0.0196 0.0180-0.0099 ( 2232 PWs) bands (ev): -12.8433 -12.8433 -12.8302 -12.8302 -12.8151 -12.8151 -12.7507 -12.7507 -9.9264 -9.9264 -9.9144 -9.9144 -9.8827 -9.8827 -9.8319 -9.8319 -9.7411 -9.7411 -9.6697 -9.6697 -1.9373 -1.9373 2.6688 2.6688 7.5041 7.5041 8.9850 8.9850 13.2383 13.2383 14.2716 14.2716 15.6221 15.6221 16.0949 16.0949 16.8174 16.8174 k = 0.0294 0.0269-0.0148 ( 2236 PWs) bands (ev): -12.8433 -12.8433 -12.8300 -12.8300 -12.8151 -12.8151 -12.7509 -12.7509 -9.9261 -9.9261 -9.9144 -9.9144 -9.8826 -9.8826 -9.8316 -9.8316 -9.7413 -9.7413 -9.6702 -9.6702 -1.9305 -1.9305 2.6498 2.6498 7.5115 7.5115 8.9984 8.9984 13.2058 13.2058 14.2993 14.2993 15.6007 15.6007 16.0372 16.0372 16.8244 16.8244 k = 0.0392 0.0359-0.0198 ( 2237 PWs) bands (ev): -12.8433 -12.8433 -12.8296 -12.8296 -12.8151 -12.8151 -12.7511 -12.7511 -9.9257 -9.9257 -9.9143 -9.9143 -9.8825 -9.8825 -9.8312 -9.8312 -9.7415 -9.7415 -9.6710 -9.6710 -1.9211 -1.9211 2.6235 2.6235 7.5203 7.5203 9.0186 9.0186 13.1594 13.1594 14.3376 14.3376 15.5679 15.5679 15.9689 15.9689 16.8362 16.8362 k = 0.0490 0.0449-0.0247 ( 2234 PWs) bands (ev): -12.8433 -12.8433 -12.8292 -12.8292 -12.8152 -12.8152 -12.7513 -12.7513 -9.9252 -9.9252 -9.9142 -9.9142 -9.8824 -9.8824 -9.8306 -9.8306 -9.7418 -9.7418 -9.6720 -9.6720 -1.9089 -1.9089 2.5906 2.5906 7.5291 7.5291 9.0466 9.0466 13.0984 13.0984 14.3862 14.3862 15.5212 15.5212 15.9001 15.9001 16.8530 16.8530 k = 0.0588 0.0539-0.0297 ( 2234 PWs) bands (ev): -12.8433 -12.8433 -12.8286 -12.8286 -12.8152 -12.8152 -12.7516 -12.7516 -9.9247 -9.9247 -9.9141 -9.9141 -9.8823 -9.8823 -9.8300 -9.8300 -9.7422 -9.7422 -9.6732 -9.6732 -1.8941 -1.8941 2.5514 2.5514 7.5365 7.5365 9.0838 9.0838 13.0220 13.0220 14.4448 14.4448 15.4591 15.4591 15.8396 15.8396 16.8744 16.8744 k = 0.0686 0.0628-0.0346 ( 2232 PWs) bands (ev): -12.8433 -12.8433 -12.8280 -12.8280 -12.8152 -12.8152 -12.7520 -12.7520 -9.9241 -9.9241 -9.9139 -9.9139 -9.8821 -9.8821 -9.8292 -9.8292 -9.7427 -9.7427 -9.6747 -9.6747 -1.8765 -1.8765 2.5066 2.5066 7.5408 7.5408 9.1315 9.1315 12.9295 12.9295 14.5125 14.5125 15.3842 15.3842 15.7917 15.7917 16.8993 16.8993 k = 0.0784 0.0718-0.0396 ( 2236 PWs) bands (ev): -12.8433 -12.8433 -12.8272 -12.8272 -12.8152 -12.8152 -12.7524 -12.7524 -9.9235 -9.9235 -9.9135 -9.9135 -9.8820 -9.8820 -9.8283 -9.8283 -9.7432 -9.7432 -9.6763 -9.6763 -1.8564 -1.8564 2.4567 2.4567 7.5406 7.5406 9.1909 9.1909 12.8207 12.8207 14.5884 14.5884 15.3027 15.3027 15.7555 15.7555 16.9270 16.9270 k = 0.0882 0.0808-0.0445 ( 2240 PWs) bands (ev): -12.8433 -12.8433 -12.8264 -12.8264 -12.8152 -12.8152 -12.7528 -12.7528 -9.9229 -9.9229 -9.9130 -9.9130 -9.8819 -9.8819 -9.8273 -9.8273 -9.7438 -9.7438 -9.6781 -9.6781 -1.8335 -1.8335 2.4023 2.4023 7.5350 7.5350 9.2626 9.2626 12.6956 12.6956 14.6710 14.6710 15.2217 15.2217 15.7288 15.7288 16.9565 16.9565 k = 0.0980 0.0898-0.0495 ( 2240 PWs) bands (ev): -12.8434 -12.8434 -12.8255 -12.8255 -12.8152 -12.8152 -12.7533 -12.7533 -9.9225 -9.9225 -9.9123 -9.9123 -9.8818 -9.8818 -9.8262 -9.8262 -9.7445 -9.7445 -9.6801 -9.6801 -1.8080 -1.8080 2.3442 2.3442 7.5233 7.5233 9.3472 9.3472 12.5549 12.5549 14.7566 14.7566 15.1488 15.1488 15.7093 15.7093 16.9870 16.9870 k = 0.1078 0.0988-0.0544 ( 2238 PWs) bands (ev): -12.8434 -12.8434 -12.8246 -12.8246 -12.8151 -12.8151 -12.7538 -12.7538 -9.9221 -9.9221 -9.9114 -9.9114 -9.8817 -9.8817 -9.8249 -9.8249 -9.7452 -9.7452 -9.6823 -9.6823 -1.7799 -1.7799 2.2829 2.2829 7.5053 7.5053 9.4446 9.4446 12.3996 12.3996 14.8348 14.8348 15.0965 15.0965 15.6959 15.6959 17.0179 17.0179 k = 0.1176 0.1077-0.0594 ( 2240 PWs) bands (ev): -12.8435 -12.8435 -12.8237 -12.8237 -12.8150 -12.8150 -12.7544 -12.7544 -9.9218 -9.9218 -9.9104 -9.9104 -9.8815 -9.8815 -9.8236 -9.8236 -9.7459 -9.7459 -9.6846 -9.6846 -1.7491 -1.7491 2.2189 2.2189 7.4810 7.4810 9.5544 9.5544 12.2311 12.2311 14.8746 14.8746 15.0960 15.0960 15.6882 15.6882 17.0484 17.0484 k = 0.1275 0.1167-0.0643 ( 2238 PWs) bands (ev): -12.8435 -12.8435 -12.8228 -12.8228 -12.8147 -12.8147 -12.7550 -12.7550 -9.9216 -9.9216 -9.9091 -9.9091 -9.8814 -9.8814 -9.8222 -9.8222 -9.7468 -9.7468 -9.6871 -9.6871 -1.7158 -1.7158 2.1528 2.1528 7.4508 7.4508 9.6762 9.6762 12.0512 12.0512 14.8578 14.8578 15.1644 15.1644 15.6868 15.6868 17.0782 17.0782 k = 0.1373 0.1257-0.0693 ( 2240 PWs) bands (ev): -12.8436 -12.8436 -12.8220 -12.8220 -12.8143 -12.8143 -12.7556 -12.7556 -9.9214 -9.9214 -9.9078 -9.9078 -9.8812 -9.8812 -9.8207 -9.8207 -9.7476 -9.7476 -9.6898 -9.6898 -1.6799 -1.6799 2.0850 2.0850 7.4154 7.4154 9.8090 9.8090 11.8616 11.8616 14.8186 14.8186 15.2644 15.2644 15.6936 15.6936 17.1068 17.1068 k = 0.1471 0.1347-0.0742 ( 2242 PWs) bands (ev): -12.8437 -12.8437 -12.8214 -12.8214 -12.8138 -12.8138 -12.7562 -12.7562 -9.9213 -9.9213 -9.9063 -9.9063 -9.8809 -9.8809 -9.8191 -9.8191 -9.7485 -9.7485 -9.6925 -9.6925 -1.6415 -1.6415 2.0162 2.0162 7.3753 7.3753 9.9520 9.9520 11.6641 11.6641 14.7768 14.7768 15.3701 15.3701 15.7136 15.7136 17.1338 17.1338 k = 0.1569 0.1437-0.0792 ( 2238 PWs) bands (ev): -12.8438 -12.8438 -12.8209 -12.8209 -12.8130 -12.8130 -12.7569 -12.7569 -9.9213 -9.9213 -9.9049 -9.9049 -9.8805 -9.8805 -9.8175 -9.8175 -9.7495 -9.7495 -9.6954 -9.6954 -1.6007 -1.6007 1.9466 1.9466 7.3312 7.3312 10.1043 10.1043 11.4602 11.4602 14.7376 14.7376 15.4646 15.4646 15.7572 15.7572 17.1592 17.1592 k = 0.1667 0.1526-0.0841 ( 2234 PWs) bands (ev): -12.8438 -12.8438 -12.8206 -12.8206 -12.8119 -12.8119 -12.7576 -12.7576 -9.9213 -9.9213 -9.9035 -9.9035 -9.8800 -9.8800 -9.8158 -9.8158 -9.7505 -9.7505 -9.6984 -9.6984 -1.5573 -1.5573 1.8766 1.8766 7.2839 7.2839 10.2648 10.2648 11.2516 11.2516 14.7021 14.7021 15.5324 15.5324 15.8376 15.8376 17.1827 17.1827 k = 0.1765 0.1616-0.0890 ( 2232 PWs) bands (ev): -12.8439 -12.8439 -12.8206 -12.8206 -12.8107 -12.8107 -12.7583 -12.7583 -9.9213 -9.9213 -9.9022 -9.9022 -9.8792 -9.8792 -9.8141 -9.8141 -9.7515 -9.7515 -9.7015 -9.7015 -1.5115 -1.5115 1.8067 1.8067 7.2338 7.2338 10.4321 10.4321 11.0402 11.0402 14.6707 14.6707 15.5730 15.5730 15.9536 15.9536 17.2044 17.2044 k = 0.1863 0.1706-0.0940 ( 2236 PWs) bands (ev): -12.8440 -12.8440 -12.8206 -12.8206 -12.8093 -12.8093 -12.7590 -12.7590 -9.9213 -9.9213 -9.9011 -9.9011 -9.8782 -9.8782 -9.8124 -9.8124 -9.7525 -9.7525 -9.7046 -9.7046 -1.4634 -1.4634 1.7370 1.7370 7.1817 7.1817 10.6004 10.6004 10.8323 10.8323 14.6432 14.6432 15.5981 15.5981 16.0925 16.0925 17.2244 17.2244 k = 0.1961 0.1796-0.0989 ( 2238 PWs) bands (ev): -12.8441 -12.8441 -12.8208 -12.8208 -12.8078 -12.8078 -12.7597 -12.7597 -9.9213 -9.9213 -9.9002 -9.9002 -9.8769 -9.8769 -9.8107 -9.8107 -9.7536 -9.7536 -9.7078 -9.7078 -1.4130 -1.4130 1.6679 1.6679 7.1280 7.1280 10.5900 10.5900 10.8076 10.8076 14.6196 14.6196 15.6162 15.6162 16.2448 16.2448 17.2430 17.2430 k = 0.2059 0.1885-0.1039 ( 2239 PWs) bands (ev): -12.8442 -12.8442 -12.8211 -12.8211 -12.8062 -12.8062 -12.7604 -12.7604 -9.9214 -9.9214 -9.8996 -9.8996 -9.8752 -9.8752 -9.8090 -9.8090 -9.7546 -9.7546 -9.7110 -9.7110 -1.3604 -1.3604 1.5996 1.5996 7.0731 7.0731 10.3805 10.3805 10.9867 10.9867 14.5997 14.5997 15.6310 15.6310 16.4057 16.4057 17.2608 17.2608 k = 0.2157 0.1975-0.1088 ( 2237 PWs) bands (ev): -12.8444 -12.8444 -12.8214 -12.8214 -12.8045 -12.8045 -12.7612 -12.7612 -9.9214 -9.9214 -9.8992 -9.8992 -9.8732 -9.8732 -9.8074 -9.8074 -9.7557 -9.7557 -9.7142 -9.7142 -1.3055 -1.3055 1.5324 1.5324 7.0176 7.0176 10.1642 10.1642 11.1773 11.1773 14.5834 14.5834 15.6442 15.6442 16.5725 16.5725 17.2786 17.2786 k = 0.2255 0.2065-0.1138 ( 2244 PWs) bands (ev): -12.8445 -12.8445 -12.8218 -12.8218 -12.8027 -12.8027 -12.7619 -12.7619 -9.9214 -9.9214 -9.8991 -9.8991 -9.8709 -9.8709 -9.8059 -9.8059 -9.7569 -9.7569 -9.7174 -9.7174 -1.2486 -1.2486 1.4664 1.4664 6.9617 6.9617 9.9475 9.9475 11.3729 11.3729 14.5708 14.5708 15.6563 15.6563 16.7425 16.7425 17.2980 17.2980 k = 0.2353 0.2155-0.1187 ( 2243 PWs) bands (ev): -12.8446 -12.8446 -12.8223 -12.8223 -12.8010 -12.8010 -12.7626 -12.7626 -9.9215 -9.9215 -9.8992 -9.8992 -9.8684 -9.8684 -9.8044 -9.8044 -9.7580 -9.7580 -9.7206 -9.7206 -1.1897 -1.1897 1.4018 1.4018 6.9058 6.9058 9.7317 9.7317 11.5722 11.5722 14.5620 14.5620 15.6674 15.6674 16.9119 16.9119 17.3228 17.3228 k = 0.2451 0.2245-0.1237 ( 2245 PWs) bands (ev): -12.8447 -12.8447 -12.8228 -12.8228 -12.7992 -12.7992 -12.7632 -12.7632 -9.9215 -9.9215 -9.8994 -9.8994 -9.8656 -9.8656 -9.8029 -9.8029 -9.7591 -9.7591 -9.7237 -9.7237 -1.1289 -1.1289 1.3388 1.3388 6.8503 6.8503 9.5175 9.5175 11.7739 11.7739 14.5571 14.5571 15.6775 15.6775 17.0702 17.0702 17.3631 17.3631 k = 0.2549 0.2334-0.1286 ( 2243 PWs) bands (ev): -12.8448 -12.8448 -12.8234 -12.8234 -12.7974 -12.7974 -12.7639 -12.7639 -9.9215 -9.9215 -9.8998 -9.8998 -9.8627 -9.8627 -9.8016 -9.8016 -9.7603 -9.7603 -9.7267 -9.7267 -1.0664 -1.0664 1.2774 1.2774 6.7952 6.7952 9.3054 9.3054 11.9773 11.9773 14.5563 14.5563 15.6867 15.6867 17.1911 17.1911 17.4453 17.4453 k = 0.2647 0.2424-0.1336 ( 2243 PWs) bands (ev): -12.8449 -12.8449 -12.8240 -12.8240 -12.7956 -12.7956 -12.7645 -12.7645 -9.9215 -9.9215 -9.9003 -9.9003 -9.8597 -9.8597 -9.8004 -9.8004 -9.7614 -9.7614 -9.7297 -9.7297 -1.0022 -1.0022 1.2179 1.2179 6.7410 6.7410 9.0959 9.0959 12.1811 12.1811 14.5600 14.5600 15.6949 15.6949 17.2566 17.2566 17.5875 17.5875 k = 0.2745 0.2514-0.1385 ( 2245 PWs) bands (ev): -12.8450 -12.8450 -12.8247 -12.8247 -12.7938 -12.7938 -12.7651 -12.7651 -9.9216 -9.9216 -9.9008 -9.9008 -9.8565 -9.8565 -9.7994 -9.7994 -9.7626 -9.7626 -9.7325 -9.7325 -0.9365 -0.9365 1.1603 1.1603 6.6878 6.6878 8.8894 8.8894 12.3842 12.3842 14.5686 14.5686 15.7022 15.7022 17.2919 17.2919 17.7648 17.7648 k = 0.2843 0.2604-0.1435 ( 2250 PWs) bands (ev): -12.8451 -12.8451 -12.8253 -12.8253 -12.7921 -12.7921 -12.7657 -12.7657 -9.9216 -9.9216 -9.9015 -9.9015 -9.8532 -9.8532 -9.7985 -9.7985 -9.7639 -9.7639 -9.7351 -9.7351 -0.8695 -0.8695 1.1048 1.1048 6.6358 6.6358 8.6864 8.6864 12.5849 12.5849 14.5829 14.5829 15.7088 15.7088 17.3170 17.3170 17.9570 17.9570 k = 0.2941 0.2694-0.1484 ( 2250 PWs) bands (ev): -12.8452 -12.8452 -12.8260 -12.8260 -12.7903 -12.7903 -12.7662 -12.7662 -9.9216 -9.9216 -9.9022 -9.9022 -9.8499 -9.8499 -9.7977 -9.7977 -9.7651 -9.7651 -9.7376 -9.7376 -0.8013 -0.8013 1.0513 1.0513 6.5852 6.5852 8.4873 8.4873 12.7815 12.7815 14.6034 14.6034 15.7152 15.7152 17.3391 17.3391 18.1570 18.1570 k = 0.3039 0.2783-0.1534 ( 2250 PWs) bands (ev): -12.8453 -12.8453 -12.8268 -12.8268 -12.7887 -12.7887 -12.7668 -12.7668 -9.9216 -9.9216 -9.9029 -9.9029 -9.8466 -9.8466 -9.7970 -9.7970 -9.7664 -9.7664 -9.7399 -9.7399 -0.7322 -0.7322 1.0000 1.0000 6.5362 6.5362 8.2924 8.2924 12.9717 12.9717 14.6311 14.6311 15.7223 15.7223 17.3608 17.3608 18.3623 18.3623 k = 0.3137 0.2873-0.1583 ( 2254 PWs) bands (ev): -12.8454 -12.8454 -12.8275 -12.8275 -12.7870 -12.7870 -12.7672 -12.7672 -9.9216 -9.9216 -9.9037 -9.9037 -9.8432 -9.8432 -9.7965 -9.7965 -9.7678 -9.7678 -9.7419 -9.7419 -0.6624 -0.6624 0.9509 0.9509 6.4887 6.4887 8.1021 8.1021 13.1531 13.1531 14.6668 14.6668 15.7313 15.7313 17.3830 17.3830 18.5716 18.5716 k = 0.3235 0.2963-0.1633 ( 2254 PWs) bands (ev): -12.8455 -12.8455 -12.8283 -12.8283 -12.7854 -12.7854 -12.7677 -12.7677 -9.9216 -9.9216 -9.9045 -9.9045 -9.8399 -9.8399 -9.7961 -9.7961 -9.7692 -9.7692 -9.7438 -9.7438 -0.5921 -0.5921 0.9041 0.9041 6.4431 6.4431 7.9169 7.9169 13.3225 13.3225 14.7110 14.7110 15.7442 15.7442 17.4064 17.4064 18.7842 18.7842 k = 0.3333 0.3053-0.1682 ( 2256 PWs) bands (ev): -12.8456 -12.8456 -12.8290 -12.8290 -12.7839 -12.7839 -12.7681 -12.7681 -9.9216 -9.9216 -9.9053 -9.9053 -9.8366 -9.8366 -9.7958 -9.7958 -9.7706 -9.7706 -9.7454 -9.7454 -0.5217 -0.5217 0.8596 0.8596 6.3994 6.3994 7.7371 7.7371 13.4773 13.4773 14.7634 14.7634 15.7635 15.7635 17.4310 17.4310 18.9994 18.9994 k = 0.3431 0.3142-0.1732 ( 2253 PWs) bands (ev): -12.8457 -12.8457 -12.8298 -12.8298 -12.7824 -12.7824 -12.7685 -12.7685 -9.9216 -9.9216 -9.9061 -9.9061 -9.8333 -9.8333 -9.7957 -9.7957 -9.7720 -9.7720 -9.7469 -9.7469 -0.4514 -0.4514 0.8176 0.8176 6.3578 6.3578 7.5632 7.5632 13.6150 13.6150 14.8222 14.8222 15.7932 15.7932 17.4567 17.4567 19.2170 19.2170 k = 0.3529 0.3232-0.1781 ( 2252 PWs) bands (ev): -12.8458 -12.8458 -12.8306 -12.8306 -12.7810 -12.7810 -12.7688 -12.7688 -9.9216 -9.9216 -9.9069 -9.9069 -9.8301 -9.8301 -9.7956 -9.7956 -9.7735 -9.7735 -9.7482 -9.7482 -0.3816 -0.3816 0.7779 0.7779 6.3182 6.3182 7.3957 7.3957 13.7343 13.7343 14.8836 14.8836 15.8377 15.8377 17.4835 17.4835 19.4361 19.4361 k = 0.3627 0.3322-0.1830 ( 2250 PWs) bands (ev): -12.8458 -12.8458 -12.8313 -12.8313 -12.7797 -12.7797 -12.7691 -12.7691 -9.9215 -9.9215 -9.9077 -9.9077 -9.8270 -9.8270 -9.7956 -9.7956 -9.7749 -9.7749 -9.7493 -9.7493 -0.3127 -0.3127 0.7407 0.7407 6.2808 6.2808 7.2350 7.2350 13.8355 13.8355 14.9419 14.9419 15.9021 15.9021 17.5110 17.5110 19.6562 19.6562 k = 0.3725 0.3412-0.1880 ( 2250 PWs) bands (ev): -12.8459 -12.8459 -12.8321 -12.8321 -12.7785 -12.7785 -12.7693 -12.7693 -9.9214 -9.9214 -9.9085 -9.9085 -9.8240 -9.8240 -9.7957 -9.7957 -9.7762 -9.7762 -9.7503 -9.7503 -0.2451 -0.2451 0.7059 0.7059 6.2457 6.2457 7.0816 7.0816 13.9203 13.9203 14.9913 14.9913 15.9897 15.9897 17.5390 17.5390 19.8757 19.8757 k = 0.3824 0.3502-0.1929 ( 2251 PWs) bands (ev): -12.8459 -12.8459 -12.8328 -12.8328 -12.7773 -12.7773 -12.7695 -12.7695 -9.9214 -9.9214 -9.9093 -9.9093 -9.8212 -9.8212 -9.7958 -9.7958 -9.7775 -9.7775 -9.7513 -9.7513 -0.1792 -0.1792 0.6737 0.6737 6.2130 6.2130 6.9360 6.9360 13.9912 13.9912 15.0279 15.0279 16.1012 16.1012 17.5671 17.5671 20.0905 20.0905 k = 0.3922 0.3591-0.1979 ( 2250 PWs) bands (ev): -12.8460 -12.8460 -12.8335 -12.8335 -12.7763 -12.7763 -12.7696 -12.7696 -9.9213 -9.9213 -9.9101 -9.9101 -9.8186 -9.8186 -9.7960 -9.7960 -9.7786 -9.7786 -9.7522 -9.7522 -0.1156 -0.1156 0.6439 0.6439 6.1826 6.1826 6.7988 6.7988 14.0506 14.0506 15.0509 15.0509 16.2337 16.2337 17.5948 17.5948 20.2796 20.2796 k = 0.4020 0.3681-0.2028 ( 2250 PWs) bands (ev): -12.8460 -12.8460 -12.8341 -12.8341 -12.7755 -12.7755 -12.7697 -12.7697 -9.9211 -9.9211 -9.9109 -9.9109 -9.8162 -9.8162 -9.7961 -9.7961 -9.7795 -9.7795 -9.7530 -9.7530 -0.0547 -0.0547 0.6167 0.6167 6.1548 6.1548 6.6706 6.6706 14.1011 14.1011 15.0621 15.0621 16.3819 16.3819 17.6218 17.6218 20.3860 20.3860 k = 0.4118 0.3771-0.2078 ( 2258 PWs) bands (ev): -12.8460 -12.8460 -12.8347 -12.8347 -12.7748 -12.7748 -12.7696 -12.7696 -9.9209 -9.9209 -9.9117 -9.9117 -9.8140 -9.8140 -9.7963 -9.7963 -9.7803 -9.7803 -9.7538 -9.7538 0.0029 0.0029 0.5920 0.5920 6.1294 6.1294 6.5520 6.5520 14.1445 14.1445 15.0640 15.0640 16.5399 16.5399 17.6477 17.6477 20.4471 20.4471 k = 0.4216 0.3861-0.2127 ( 2260 PWs) bands (ev): -12.8460 -12.8460 -12.8353 -12.8353 -12.7742 -12.7742 -12.7695 -12.7695 -9.9207 -9.9207 -9.9125 -9.9125 -9.8121 -9.8121 -9.7964 -9.7964 -9.7808 -9.7808 -9.7546 -9.7546 0.0566 0.0566 0.5699 0.5699 6.1066 6.1066 6.4436 6.4436 14.1822 14.1822 15.0592 15.0592 16.7018 16.7018 17.6720 17.6720 20.4980 20.4980 k = 0.4314 0.3951-0.2177 ( 2262 PWs) bands (ev): -12.8460 -12.8460 -12.8358 -12.8358 -12.7738 -12.7738 -12.7693 -12.7693 -9.9205 -9.9205 -9.9132 -9.9132 -9.8105 -9.8105 -9.7966 -9.7966 -9.7811 -9.7811 -9.7554 -9.7554 0.1058 0.1058 0.5504 0.5504 6.0864 6.0864 6.3461 6.3461 14.2151 14.2151 15.0500 15.0500 16.8622 16.8622 17.6944 17.6944 20.5437 20.5437 k = 0.4412 0.4040-0.2226 ( 2258 PWs) bands (ev): -12.8460 -12.8460 -12.8363 -12.8363 -12.7735 -12.7735 -12.7690 -12.7690 -9.9202 -9.9202 -9.9140 -9.9140 -9.8092 -9.8092 -9.7967 -9.7967 -9.7811 -9.7811 -9.7562 -9.7562 0.1500 0.1500 0.5334 0.5334 6.0688 6.0688 6.2600 6.2600 14.2438 14.2438 15.0382 15.0382 17.0159 17.0159 17.7144 17.7144 20.5844 20.5844 k = 0.4510 0.4130-0.2276 ( 2258 PWs) bands (ev): -12.8460 -12.8460 -12.8367 -12.8367 -12.7733 -12.7733 -12.7688 -12.7688 -9.9199 -9.9199 -9.9146 -9.9146 -9.8082 -9.8082 -9.7968 -9.7968 -9.7810 -9.7810 -9.7569 -9.7569 0.1885 0.1885 0.5190 0.5190 6.0538 6.0538 6.1859 6.1859 14.2685 14.2685 15.0255 15.0255 17.1578 17.1578 17.7317 17.7317 20.6192 20.6192 k = 0.4608 0.4220-0.2325 ( 2257 PWs) bands (ev): -12.8460 -12.8460 -12.8370 -12.8370 -12.7732 -12.7732 -12.7685 -12.7685 -9.9196 -9.9196 -9.9153 -9.9153 -9.8074 -9.8074 -9.7969 -9.7969 -9.7808 -9.7808 -9.7576 -9.7576 0.2209 0.2209 0.5072 0.5072 6.0416 6.0416 6.1245 6.1245 14.2891 14.2891 15.0131 15.0131 17.2833 17.2833 17.7460 17.7460 20.6474 20.6474 k = 0.4706 0.4310-0.2375 ( 2259 PWs) bands (ev): -12.8460 -12.8460 -12.8373 -12.8373 -12.7731 -12.7731 -12.7683 -12.7683 -9.9192 -9.9192 -9.9159 -9.9159 -9.8069 -9.8069 -9.7970 -9.7970 -9.7804 -9.7804 -9.7581 -9.7581 0.2466 0.2466 0.4980 0.4980 6.0320 6.0320 6.0761 6.0761 14.3056 14.3056 15.0022 15.0022 17.3876 17.3876 17.7570 17.7570 20.6685 20.6685 k = 0.4804 0.4399-0.2424 ( 2259 PWs) bands (ev): -12.8460 -12.8460 -12.8375 -12.8375 -12.7731 -12.7731 -12.7681 -12.7681 -9.9188 -9.9188 -9.9165 -9.9165 -9.8066 -9.8066 -9.7971 -9.7971 -9.7801 -9.7801 -9.7586 -9.7586 0.2653 0.2653 0.4914 0.4914 6.0250 6.0250 6.0414 6.0414 14.3177 14.3177 14.9937 14.9937 17.4663 17.4663 17.7646 17.7646 20.6826 20.6826 k = 0.4902 0.4489-0.2474 ( 2263 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7731 -12.7731 -12.7680 -12.7680 -9.9185 -9.9185 -9.9170 -9.9170 -9.8064 -9.8064 -9.7971 -9.7971 -9.7799 -9.7799 -9.7589 -9.7589 0.2767 0.2767 0.4875 0.4875 6.0187 6.0187 6.0225 6.0225 14.3251 14.3251 14.9883 14.9883 17.5155 17.5155 17.7688 17.7688 20.6906 20.6906 k = 0.5000 0.4579-0.2523 ( 2270 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7730 -12.7730 -12.7679 -12.7679 -9.9183 -9.9183 -9.9173 -9.9173 -9.8063 -9.8063 -9.7971 -9.7971 -9.7798 -9.7798 -9.7590 -9.7590 0.2805 0.2805 0.4861 0.4861 6.0126 6.0126 6.0202 6.0202 14.3276 14.3276 14.9864 14.9864 17.5322 17.5322 17.7701 17.7701 20.6931 20.6931 k = 0.5000 0.4579-0.2523 ( 2270 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7730 -12.7730 -12.7679 -12.7679 -9.9183 -9.9183 -9.9173 -9.9173 -9.8063 -9.8063 -9.7971 -9.7971 -9.7798 -9.7798 -9.7590 -9.7590 0.2805 0.2805 0.4861 0.4861 6.0126 6.0126 6.0202 6.0202 14.3276 14.3276 14.9864 14.9864 17.5322 17.5322 17.7701 17.7701 20.6931 20.6931 k = 0.5037 0.4612-0.2390 ( 2261 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7731 -12.7731 -12.7679 -12.7679 -9.9182 -9.9182 -9.9171 -9.9171 -9.8063 -9.8063 -9.7971 -9.7971 -9.7799 -9.7799 -9.7590 -9.7590 0.2816 0.2816 0.4875 0.4875 6.0139 6.0139 6.0220 6.0220 14.2851 14.2851 15.0103 15.0103 17.5244 17.5244 17.7838 17.7838 20.6607 20.6607 k = 0.5073 0.4646-0.2257 ( 2263 PWs) bands (ev): -12.8459 -12.8459 -12.8374 -12.8374 -12.7731 -12.7731 -12.7678 -12.7678 -9.9180 -9.9180 -9.9167 -9.9167 -9.8064 -9.8064 -9.7969 -9.7969 -9.7800 -9.7800 -9.7592 -9.7592 0.2847 0.2847 0.4915 0.4915 6.0179 6.0179 6.0272 6.0272 14.1741 14.1741 15.0657 15.0657 17.5054 17.5054 17.8193 17.8193 20.5803 20.5803 k = 0.5110 0.4679-0.2124 ( 2263 PWs) bands (ev): -12.8456 -12.8456 -12.8372 -12.8372 -12.7732 -12.7732 -12.7677 -12.7677 -9.9177 -9.9177 -9.9160 -9.9160 -9.8066 -9.8066 -9.7966 -9.7966 -9.7802 -9.7802 -9.7595 -9.7595 0.2900 0.2900 0.4981 0.4981 6.0246 6.0246 6.0358 6.0358 14.0206 14.0206 15.1269 15.1269 17.4822 17.4822 17.8667 17.8667 20.4826 20.4826 k = 0.5146 0.4713-0.1991 ( 2259 PWs) bands (ev): -12.8453 -12.8453 -12.8369 -12.8369 -12.7734 -12.7734 -12.7676 -12.7676 -9.9172 -9.9172 -9.9152 -9.9152 -9.8067 -9.8067 -9.7963 -9.7963 -9.7804 -9.7804 -9.7599 -9.7599 0.2973 0.2973 0.5075 0.5075 6.0342 6.0342 6.0476 6.0476 13.8416 13.8416 15.1779 15.1779 17.4590 17.4590 17.9170 17.9170 20.3911 20.3911 k = 0.5183 0.4746-0.1858 ( 2253 PWs) bands (ev): -12.8450 -12.8450 -12.8364 -12.8364 -12.7736 -12.7736 -12.7674 -12.7674 -9.9166 -9.9166 -9.9141 -9.9141 -9.8069 -9.8069 -9.7960 -9.7960 -9.7806 -9.7806 -9.7604 -9.7604 0.3067 0.3067 0.5195 0.5195 6.0468 6.0468 6.0625 6.0625 13.6460 13.6460 15.2108 15.2108 17.4373 17.4373 17.9620 17.9620 20.3219 20.3219 k = 0.5219 0.4780-0.1725 ( 2250 PWs) bands (ev): -12.8445 -12.8445 -12.8359 -12.8359 -12.7737 -12.7737 -12.7672 -12.7672 -9.9157 -9.9157 -9.9129 -9.9129 -9.8071 -9.8071 -9.7958 -9.7958 -9.7807 -9.7807 -9.7610 -9.7610 0.3182 0.3182 0.5342 0.5342 6.0622 6.0622 6.0806 6.0806 13.4391 13.4391 15.2221 15.2221 17.4175 17.4175 17.9942 17.9942 20.2863 20.2863 k = 0.5256 0.4813-0.1592 ( 2250 PWs) bands (ev): -12.8440 -12.8440 -12.8353 -12.8353 -12.7740 -12.7740 -12.7669 -12.7669 -9.9147 -9.9147 -9.9114 -9.9114 -9.8072 -9.8072 -9.7957 -9.7957 -9.7808 -9.7808 -9.7617 -9.7617 0.3317 0.3317 0.5515 0.5515 6.0806 6.0806 6.1017 6.1017 13.2242 13.2242 15.2102 15.2102 17.3991 17.3991 18.0076 18.0076 20.2915 20.2915 k = 0.5292 0.4847-0.1459 ( 2250 PWs) bands (ev): -12.8434 -12.8434 -12.8346 -12.8346 -12.7742 -12.7742 -12.7667 -12.7667 -9.9136 -9.9136 -9.9098 -9.9098 -9.8074 -9.8074 -9.7958 -9.7958 -9.7807 -9.7807 -9.7625 -9.7625 0.3472 0.3472 0.5714 0.5714 6.1019 6.1019 6.1259 6.1259 13.0037 13.0037 15.1751 15.1751 17.3817 17.3817 17.9995 17.9995 20.3402 20.3402 k = 0.5329 0.4880-0.1325 ( 2246 PWs) bands (ev): -12.8427 -12.8427 -12.8338 -12.8338 -12.7744 -12.7744 -12.7664 -12.7664 -9.9123 -9.9123 -9.9081 -9.9081 -9.8075 -9.8075 -9.7961 -9.7961 -9.7803 -9.7803 -9.7633 -9.7633 0.3647 0.3647 0.5941 0.5941 6.1261 6.1261 6.1531 6.1531 12.7795 12.7795 15.1174 15.1174 17.3641 17.3641 17.9703 17.9703 20.4301 20.4301 k = 0.5365 0.4913-0.1192 ( 2246 PWs) bands (ev): -12.8420 -12.8420 -12.8330 -12.8330 -12.7746 -12.7746 -12.7662 -12.7662 -9.9109 -9.9109 -9.9062 -9.9062 -9.8077 -9.8077 -9.7966 -9.7966 -9.7798 -9.7798 -9.7642 -9.7642 0.3841 0.3841 0.6193 0.6193 6.1531 6.1531 6.1833 6.1833 12.5528 12.5528 15.0383 15.0383 17.3452 17.3452 17.9240 17.9240 20.5550 20.5550 k = 0.5402 0.4947-0.1059 ( 2250 PWs) bands (ev): -12.8413 -12.8413 -12.8321 -12.8321 -12.7748 -12.7748 -12.7659 -12.7659 -9.9093 -9.9093 -9.9041 -9.9041 -9.8078 -9.8078 -9.7973 -9.7973 -9.7790 -9.7790 -9.7652 -9.7652 0.4054 0.4054 0.6472 0.6472 6.1829 6.1829 6.2164 6.2164 12.3248 12.3248 14.9393 14.9393 17.3233 17.3233 17.8655 17.8655 20.7050 20.7050 k = 0.5438 0.4980-0.0926 ( 2248 PWs) bands (ev): -12.8404 -12.8404 -12.8311 -12.8311 -12.7751 -12.7751 -12.7656 -12.7656 -9.9077 -9.9077 -9.9020 -9.9020 -9.8081 -9.8081 -9.7981 -9.7981 -9.7781 -9.7781 -9.7661 -9.7661 0.4286 0.4286 0.6777 0.6777 6.2155 6.2155 6.2524 6.2524 12.0964 12.0964 14.8222 14.8222 17.2961 17.2961 17.8006 17.8006 20.8616 20.8616 k = 0.5475 0.5014-0.0793 ( 2246 PWs) bands (ev): -12.8396 -12.8396 -12.8301 -12.8301 -12.7753 -12.7753 -12.7653 -12.7653 -9.9060 -9.9060 -9.8997 -9.8997 -9.8085 -9.8085 -9.7989 -9.7989 -9.7771 -9.7771 -9.7668 -9.7668 0.4535 0.4535 0.7108 0.7108 6.2507 6.2507 6.2913 6.2913 11.8684 11.8684 14.6891 14.6891 17.2608 17.2608 17.7344 17.7344 20.9434 20.9434 k = 0.5511 0.5047-0.0660 ( 2245 PWs) bands (ev): -12.8387 -12.8387 -12.8290 -12.8290 -12.7755 -12.7755 -12.7650 -12.7650 -9.9042 -9.9042 -9.8973 -9.8973 -9.8091 -9.8091 -9.7995 -9.7995 -9.7762 -9.7762 -9.7674 -9.7674 0.4802 0.4802 0.7465 0.7465 6.2886 6.2886 6.3330 6.3330 11.6415 11.6415 14.5419 14.5419 17.2141 17.2141 17.6717 17.6717 20.8782 20.8782 k = 0.5548 0.5081-0.0527 ( 2239 PWs) bands (ev): -12.8378 -12.8378 -12.8279 -12.8279 -12.7756 -12.7756 -12.7647 -12.7647 -9.9025 -9.9025 -9.8948 -9.8948 -9.8101 -9.8101 -9.7999 -9.7999 -9.7755 -9.7755 -9.7676 -9.7676 0.5085 0.5085 0.7848 0.7848 6.3290 6.3290 6.3774 6.3774 11.4162 11.4162 14.3826 14.3826 17.1532 17.1532 17.6159 17.6159 20.7861 20.7861 k = 0.5584 0.5114-0.0394 ( 2237 PWs) bands (ev): -12.8369 -12.8369 -12.8267 -12.8267 -12.7758 -12.7758 -12.7644 -12.7644 -9.9007 -9.9007 -9.8923 -9.8923 -9.8114 -9.8114 -9.8000 -9.8000 -9.7753 -9.7753 -9.7671 -9.7671 0.5384 0.5384 0.8256 0.8256 6.3719 6.3719 6.4245 6.4245 11.1933 11.1933 14.2134 14.2134 17.0770 17.0770 17.5682 17.5682 20.6967 20.6967 k = 0.5621 0.5148-0.0261 ( 2235 PWs) bands (ev): -12.8359 -12.8359 -12.8255 -12.8255 -12.7760 -12.7760 -12.7641 -12.7641 -9.8989 -9.8989 -9.8897 -9.8897 -9.8130 -9.8130 -9.7998 -9.7998 -9.7755 -9.7755 -9.7660 -9.7660 0.5697 0.5697 0.8690 0.8690 6.4171 6.4171 6.4742 6.4742 10.9731 10.9731 14.0359 14.0359 16.9862 16.9862 17.5277 17.5277 20.6139 20.6139 k = 0.5657 0.5181-0.0128 ( 2237 PWs) bands (ev): -12.8350 -12.8350 -12.8243 -12.8243 -12.7761 -12.7761 -12.7638 -12.7638 -9.8972 -9.8972 -9.8870 -9.8870 -9.8149 -9.8149 -9.7994 -9.7994 -9.7760 -9.7760 -9.7645 -9.7645 0.6024 0.6024 0.9149 0.9149 6.4646 6.4646 6.5265 6.5265 10.7562 10.7562 13.8518 13.8518 16.8828 16.8828 17.4920 17.4920 20.5380 20.5380 k = 0.5694 0.5214 0.0005 ( 2237 PWs) bands (ev): -12.8341 -12.8341 -12.8231 -12.8231 -12.7762 -12.7762 -12.7635 -12.7635 -9.8956 -9.8956 -9.8843 -9.8843 -9.8170 -9.8170 -9.7988 -9.7988 -9.7766 -9.7766 -9.7626 -9.7626 0.6364 0.6364 0.9632 0.9632 6.5143 6.5143 6.5811 6.5811 10.5431 10.5431 13.6628 13.6628 16.7690 16.7690 17.4586 17.4586 20.4679 20.4679 k = 0.5730 0.5248 0.0138 ( 2237 PWs) bands (ev): -12.8331 -12.8331 -12.8219 -12.8219 -12.7763 -12.7763 -12.7632 -12.7632 -9.8941 -9.8941 -9.8815 -9.8815 -9.8193 -9.8193 -9.7981 -9.7981 -9.7772 -9.7772 -9.7605 -9.7605 0.6714 0.6714 1.0140 1.0140 6.5658 6.5658 6.6380 6.6380 10.3344 10.3344 13.4701 13.4701 16.6466 16.6466 17.4252 17.4252 20.4020 20.4020 k = 0.5767 0.5281 0.0271 ( 2237 PWs) bands (ev): -12.8322 -12.8322 -12.8207 -12.8207 -12.7763 -12.7763 -12.7629 -12.7629 -9.8928 -9.8928 -9.8787 -9.8787 -9.8217 -9.8217 -9.7974 -9.7974 -9.7776 -9.7776 -9.7582 -9.7582 0.7073 0.7073 1.0672 1.0672 6.6192 6.6192 6.6971 6.6971 10.1304 10.1304 13.2749 13.2749 16.5173 16.5173 17.3900 17.3900 20.3378 20.3378 k = 0.5803 0.5315 0.0404 ( 2237 PWs) bands (ev): -12.8314 -12.8314 -12.8194 -12.8194 -12.7763 -12.7763 -12.7626 -12.7626 -9.8916 -9.8916 -9.8759 -9.8759 -9.8241 -9.8241 -9.7968 -9.7968 -9.7777 -9.7777 -9.7558 -9.7558 0.7441 0.7441 1.1227 1.1227 6.6741 6.6741 6.7582 6.7582 9.9320 9.9320 13.0784 13.0784 16.3823 16.3823 17.3516 17.3516 20.2724 20.2724 k = 0.5840 0.5348 0.0537 ( 2245 PWs) bands (ev): -12.8305 -12.8305 -12.8182 -12.8182 -12.7763 -12.7763 -12.7623 -12.7623 -9.8906 -9.8906 -9.8731 -9.8731 -9.8266 -9.8266 -9.7963 -9.7963 -9.7774 -9.7774 -9.7534 -9.7534 0.7813 0.7813 1.1806 1.1806 6.7303 6.7303 6.8211 6.8211 9.7396 9.7396 12.8815 12.8815 16.2426 16.2426 17.3088 17.3088 20.2025 20.2025 k = 0.5876 0.5382 0.0671 ( 2244 PWs) bands (ev): -12.8297 -12.8297 -12.8170 -12.8170 -12.7763 -12.7763 -12.7621 -12.7621 -9.8897 -9.8897 -9.8703 -9.8703 -9.8291 -9.8291 -9.7960 -9.7960 -9.7767 -9.7767 -9.7508 -9.7508 0.8190 0.8190 1.2406 1.2406 6.7875 6.7875 6.8856 6.8856 9.5540 9.5540 12.6850 12.6850 16.0990 16.0990 17.2609 17.2609 20.1249 20.1249 k = 0.5913 0.5415 0.0804 ( 2246 PWs) bands (ev): -12.8290 -12.8290 -12.8158 -12.8158 -12.7762 -12.7762 -12.7618 -12.7618 -9.8891 -9.8891 -9.8676 -9.8676 -9.8316 -9.8316 -9.7958 -9.7958 -9.7757 -9.7757 -9.7482 -9.7482 0.8567 0.8567 1.3029 1.3029 6.8451 6.8451 6.9514 6.9514 9.3762 9.3762 12.4899 12.4899 15.9524 15.9524 17.2072 17.2072 20.0375 20.0375 k = 0.5949 0.5449 0.0937 ( 2247 PWs) bands (ev): -12.8283 -12.8283 -12.8146 -12.8146 -12.7761 -12.7761 -12.7615 -12.7615 -9.8887 -9.8887 -9.8649 -9.8649 -9.8340 -9.8340 -9.7959 -9.7959 -9.7742 -9.7742 -9.7455 -9.7455 0.8943 0.8943 1.3672 1.3672 6.9026 6.9026 7.0181 7.0181 9.2070 9.2070 12.2968 12.2968 15.8036 15.8036 17.1474 17.1474 19.9395 19.9395 k = 0.5986 0.5482 0.1070 ( 2247 PWs) bands (ev): -12.8276 -12.8276 -12.8135 -12.8135 -12.7760 -12.7760 -12.7613 -12.7613 -9.8884 -9.8884 -9.8623 -9.8623 -9.8364 -9.8364 -9.7961 -9.7961 -9.7724 -9.7724 -9.7427 -9.7427 0.9315 0.9315 1.4336 1.4336 6.9592 6.9592 7.0855 7.0855 9.0480 9.0480 12.1064 12.1064 15.6530 15.6530 17.0811 17.0811 19.8315 19.8315 k = 0.6023 0.5515 0.1203 ( 2251 PWs) bands (ev): -12.8270 -12.8270 -12.8123 -12.8123 -12.7758 -12.7758 -12.7610 -12.7610 -9.8884 -9.8884 -9.8598 -9.8598 -9.8387 -9.8387 -9.7964 -9.7964 -9.7703 -9.7703 -9.7399 -9.7399 0.9679 0.9679 1.5018 1.5018 7.0139 7.0139 7.1531 7.1531 8.9005 8.9005 11.9195 11.9195 15.5014 15.5014 17.0082 17.0082 19.7149 19.7149 k = 0.6059 0.5549 0.1336 ( 2251 PWs) bands (ev): -12.8265 -12.8265 -12.8112 -12.8112 -12.7757 -12.7757 -12.7608 -12.7608 -9.8885 -9.8885 -9.8575 -9.8575 -9.8409 -9.8409 -9.7968 -9.7968 -9.7680 -9.7680 -9.7371 -9.7371 1.0032 1.0032 1.5718 1.5718 7.0650 7.0650 7.2206 7.2206 8.7667 8.7667 11.7366 11.7366 15.3492 15.3492 16.9289 16.9289 19.5916 19.5916 k = 0.6096 0.5582 0.1469 ( 2252 PWs) bands (ev): -12.8260 -12.8260 -12.8101 -12.8101 -12.7755 -12.7755 -12.7606 -12.7606 -9.8888 -9.8888 -9.8556 -9.8556 -9.8426 -9.8426 -9.7971 -9.7971 -9.7656 -9.7656 -9.7343 -9.7343 1.0370 1.0370 1.6435 1.6435 7.1107 7.1107 7.2874 7.2874 8.6490 8.6490 11.5584 11.5584 15.1970 15.1970 16.8434 16.8434 19.4631 19.4631 k = 0.6132 0.5616 0.1602 ( 2254 PWs) bands (ev): -12.8256 -12.8256 -12.8091 -12.8091 -12.7753 -12.7753 -12.7604 -12.7604 -9.8893 -9.8893 -9.8544 -9.8544 -9.8438 -9.8438 -9.7975 -9.7975 -9.7631 -9.7631 -9.7316 -9.7316 1.0689 1.0689 1.7167 1.7167 7.1484 7.1484 7.3532 7.3532 8.5503 8.5503 11.3856 11.3856 15.0453 15.0453 16.7521 16.7521 19.3310 19.3310 k = 0.6169 0.5649 0.1735 ( 2252 PWs) bands (ev): -12.8252 -12.8252 -12.8081 -12.8081 -12.7751 -12.7751 -12.7602 -12.7602 -9.8899 -9.8899 -9.8542 -9.8542 -9.8438 -9.8438 -9.7978 -9.7978 -9.7605 -9.7605 -9.7288 -9.7288 1.0985 1.0985 1.7912 1.7912 7.1751 7.1751 7.4179 7.4179 8.4737 8.4737 11.2190 11.2190 14.8944 14.8944 16.6553 16.6553 19.1964 19.1964 k = 0.6205 0.5683 0.1868 ( 2250 PWs) bands (ev): -12.8249 -12.8249 -12.8071 -12.8071 -12.7748 -12.7748 -12.7600 -12.7600 -9.8906 -9.8906 -9.8551 -9.8551 -9.8429 -9.8429 -9.7980 -9.7980 -9.7579 -9.7579 -9.7261 -9.7261 1.1254 1.1254 1.8669 1.8669 7.1886 7.1886 7.4811 7.4811 8.4218 8.4218 11.0592 11.0592 14.7449 14.7449 16.5536 16.5536 19.0600 19.0600 k = 0.6242 0.5716 0.2001 ( 2251 PWs) bands (ev): -12.8246 -12.8246 -12.8061 -12.8061 -12.7746 -12.7746 -12.7599 -12.7599 -9.8914 -9.8914 -9.8565 -9.8565 -9.8414 -9.8414 -9.7982 -9.7982 -9.7554 -9.7554 -9.7235 -9.7235 1.1491 1.1491 1.9435 1.9435 7.1874 7.1874 7.5426 7.5426 8.3959 8.3959 10.9071 10.9071 14.5971 14.5971 16.4475 16.4475 18.9227 18.9227 k = 0.6278 0.5750 0.2134 ( 2252 PWs) bands (ev): -12.8244 -12.8244 -12.8052 -12.8052 -12.7744 -12.7744 -12.7597 -12.7597 -9.8923 -9.8923 -9.8582 -9.8582 -9.8397 -9.8397 -9.7983 -9.7983 -9.7529 -9.7529 -9.7209 -9.7209 1.1691 1.1691 2.0209 2.0209 7.1727 7.1727 7.6022 7.6022 8.3951 8.3951 10.7634 10.7634 14.4515 14.4515 16.3376 16.3376 18.7850 18.7850 k = 0.6315 0.5783 0.2267 ( 2248 PWs) bands (ev): -12.8242 -12.8242 -12.8043 -12.8043 -12.7741 -12.7741 -12.7596 -12.7596 -9.8933 -9.8933 -9.8600 -9.8600 -9.8379 -9.8379 -9.7983 -9.7983 -9.7504 -9.7504 -9.7184 -9.7184 1.1850 1.1850 2.0987 2.0987 7.1474 7.1474 7.6594 7.6594 8.4165 8.4165 10.6293 10.6293 14.3083 14.3083 16.2246 16.2246 18.6475 18.6475 k = 0.6315 0.5783 0.2267 ( 2248 PWs) bands (ev): -12.8242 -12.8242 -12.8043 -12.8043 -12.7741 -12.7741 -12.7596 -12.7596 -9.8933 -9.8933 -9.8600 -9.8600 -9.8379 -9.8379 -9.7983 -9.7983 -9.7504 -9.7504 -9.7184 -9.7184 1.1850 1.1850 2.0987 2.0987 7.1474 7.1474 7.6594 7.6594 8.4165 8.4165 10.6293 10.6293 14.3083 14.3083 16.2246 16.2246 18.6475 18.6475 k = 0.6255 0.5728 0.2382 ( 2248 PWs) bands (ev): -12.8240 -12.8240 -12.8037 -12.8037 -12.7740 -12.7740 -12.7598 -12.7598 -9.8935 -9.8935 -9.8604 -9.8604 -9.8365 -9.8365 -9.7992 -9.7992 -9.7499 -9.7499 -9.7170 -9.7170 1.2042 1.2042 2.1317 2.1317 7.1244 7.1244 7.7075 7.7075 8.4563 8.4563 10.5093 10.5093 14.1797 14.1797 16.1760 16.1760 18.5228 18.5228 k = 0.6195 0.5674 0.2497 ( 2249 PWs) bands (ev): -12.8237 -12.8237 -12.8031 -12.8031 -12.7739 -12.7739 -12.7600 -12.7600 -9.8936 -9.8936 -9.8606 -9.8606 -9.8350 -9.8350 -9.8001 -9.8001 -9.7492 -9.7492 -9.7157 -9.7157 1.2226 1.2226 2.1620 2.1620 7.1028 7.1028 7.7573 7.7573 8.5042 8.5042 10.3942 10.3942 14.0518 14.0518 16.1102 16.1102 18.4058 18.4058 k = 0.6135 0.5619 0.2611 ( 2247 PWs) bands (ev): -12.8235 -12.8235 -12.8024 -12.8024 -12.7738 -12.7738 -12.7602 -12.7602 -9.8937 -9.8937 -9.8608 -9.8608 -9.8337 -9.8337 -9.8011 -9.8011 -9.7485 -9.7485 -9.7145 -9.7145 1.2403 1.2403 2.1896 2.1896 7.0833 7.0833 7.8073 7.8073 8.5601 8.5601 10.2850 10.2850 13.9251 13.9251 16.0253 16.0253 18.3013 18.3013 k = 0.6076 0.5564 0.2726 ( 2249 PWs) bands (ev): -12.8232 -12.8232 -12.8018 -12.8018 -12.7737 -12.7737 -12.7605 -12.7605 -9.8937 -9.8937 -9.8609 -9.8609 -9.8324 -9.8324 -9.8022 -9.8022 -9.7477 -9.7477 -9.7135 -9.7135 1.2573 1.2573 2.2144 2.2144 7.0661 7.0661 7.8561 7.8561 8.6236 8.6236 10.1829 10.1829 13.8001 13.8001 15.9202 15.9202 18.2128 18.2128 k = 0.6016 0.5509 0.2841 ( 2249 PWs) bands (ev): -12.8229 -12.8229 -12.8011 -12.8011 -12.7737 -12.7737 -12.7608 -12.7608 -9.8937 -9.8937 -9.8610 -9.8610 -9.8312 -9.8312 -9.8033 -9.8033 -9.7469 -9.7469 -9.7127 -9.7127 1.2735 1.2735 2.2365 2.2365 7.0516 7.0516 7.9019 7.9019 8.6944 8.6944 10.0895 10.0895 13.6772 13.6772 15.7951 15.7951 18.1420 18.1420 k = 0.5956 0.5455 0.2955 ( 2251 PWs) bands (ev): -12.8226 -12.8226 -12.8005 -12.8005 -12.7736 -12.7736 -12.7612 -12.7612 -9.8936 -9.8936 -9.8610 -9.8610 -9.8301 -9.8301 -9.8044 -9.8044 -9.7459 -9.7459 -9.7120 -9.7120 1.2891 1.2891 2.2562 2.2562 7.0401 7.0401 7.9432 7.9432 8.7712 8.7712 10.0066 10.0066 13.5570 13.5570 15.6511 15.6511 18.0891 18.0891 k = 0.5896 0.5400 0.3070 ( 2243 PWs) bands (ev): -12.8222 -12.8222 -12.7998 -12.7998 -12.7735 -12.7735 -12.7616 -12.7616 -9.8935 -9.8935 -9.8611 -9.8611 -9.8291 -9.8291 -9.8055 -9.8055 -9.7448 -9.7448 -9.7115 -9.7115 1.3040 1.3040 2.2735 2.2735 7.0316 7.0316 7.9785 7.9785 8.8526 8.8526 9.9367 9.9367 13.4400 13.4400 15.4906 15.4906 18.0532 18.0532 k = 0.5837 0.5345 0.3185 ( 2246 PWs) bands (ev): -12.8219 -12.8219 -12.7992 -12.7992 -12.7734 -12.7734 -12.7620 -12.7620 -9.8933 -9.8933 -9.8610 -9.8610 -9.8282 -9.8282 -9.8066 -9.8066 -9.7437 -9.7437 -9.7111 -9.7111 1.3181 1.3181 2.2886 2.2886 7.0265 7.0265 8.0066 8.0066 8.9357 8.9357 9.8828 9.8828 13.3266 13.3266 15.3163 15.3163 18.0324 18.0324 k = 0.5777 0.5290 0.3299 ( 2250 PWs) bands (ev): -12.8216 -12.8216 -12.7986 -12.7986 -12.7733 -12.7733 -12.7625 -12.7625 -9.8931 -9.8931 -9.8610 -9.8610 -9.8275 -9.8275 -9.8076 -9.8076 -9.7424 -9.7424 -9.7109 -9.7109 1.3315 1.3315 2.3017 2.3017 7.0246 7.0246 8.0263 8.0263 9.0170 9.0170 9.8491 9.8491 13.2175 13.2175 15.1312 15.1312 18.0243 18.0243 k = 0.5717 0.5236 0.3414 ( 2250 PWs) bands (ev): -12.8213 -12.8213 -12.7980 -12.7980 -12.7732 -12.7732 -12.7629 -12.7629 -9.8928 -9.8928 -9.8609 -9.8609 -9.8270 -9.8270 -9.8085 -9.8085 -9.7411 -9.7411 -9.7109 -9.7109 1.3441 1.3441 2.3130 2.3130 7.0261 7.0261 8.0371 8.0371 9.0914 9.0914 9.8399 9.8399 13.1133 13.1133 14.9384 14.9384 18.0269 18.0269 k = 0.5657 0.5181 0.3529 ( 2254 PWs) bands (ev): -12.8210 -12.8210 -12.7975 -12.7975 -12.7731 -12.7731 -12.7635 -12.7635 -9.8924 -9.8924 -9.8609 -9.8609 -9.8267 -9.8267 -9.8092 -9.8092 -9.7397 -9.7397 -9.7111 -9.7111 1.3558 1.3558 2.3227 2.3227 7.0308 7.0308 8.0385 8.0385 9.1544 9.1544 9.8592 9.8592 13.0145 13.0145 14.7405 14.7405 18.0378 18.0378 k = 0.5598 0.5126 0.3644 ( 2248 PWs) bands (ev): -12.8207 -12.8207 -12.7969 -12.7969 -12.7729 -12.7729 -12.7640 -12.7640 -9.8921 -9.8921 -9.8608 -9.8608 -9.8266 -9.8266 -9.8098 -9.8098 -9.7382 -9.7382 -9.7114 -9.7114 1.3666 1.3666 2.3309 2.3309 7.0387 7.0387 8.0310 8.0310 9.2034 9.2034 9.9082 9.9082 12.9219 12.9219 14.5403 14.5403 18.0552 18.0552 k = 0.5538 0.5072 0.3758 ( 2252 PWs) bands (ev): -12.8204 -12.8204 -12.7964 -12.7964 -12.7727 -12.7727 -12.7645 -12.7645 -9.8917 -9.8917 -9.8608 -9.8608 -9.8267 -9.8267 -9.8102 -9.8102 -9.7367 -9.7367 -9.7118 -9.7118 1.3765 1.3765 2.3377 2.3377 7.0495 7.0495 8.0151 8.0151 9.2394 9.2394 9.9834 9.9834 12.8363 12.8363 14.3400 14.3400 18.0771 18.0771 k = 0.5478 0.5017 0.3873 ( 2252 PWs) bands (ev): -12.8201 -12.8201 -12.7960 -12.7960 -12.7726 -12.7726 -12.7651 -12.7651 -9.8912 -9.8912 -9.8607 -9.8607 -9.8269 -9.8269 -9.8105 -9.8105 -9.7351 -9.7351 -9.7125 -9.7125 1.3855 1.3855 2.3435 2.3435 7.0629 7.0629 7.9924 7.9924 9.2661 9.2661 10.0783 10.0783 12.7585 12.7585 14.1423 14.1423 18.1021 18.1021 k = 0.5418 0.4962 0.3988 ( 2252 PWs) bands (ev): -12.8199 -12.8199 -12.7956 -12.7956 -12.7723 -12.7723 -12.7656 -12.7656 -9.8908 -9.8908 -9.8607 -9.8607 -9.8273 -9.8273 -9.8106 -9.8106 -9.7334 -9.7334 -9.7132 -9.7132 1.3935 1.3935 2.3482 2.3482 7.0784 7.0784 7.9644 7.9644 9.2870 9.2870 10.1854 10.1854 12.6895 12.6895 13.9495 13.9495 18.1285 18.1285 k = 0.5359 0.4907 0.4102 ( 2250 PWs) bands (ev): -12.8196 -12.8196 -12.7952 -12.7952 -12.7721 -12.7721 -12.7662 -12.7662 -9.8904 -9.8904 -9.8607 -9.8607 -9.8278 -9.8278 -9.8107 -9.8107 -9.7318 -9.7318 -9.7141 -9.7141 1.4005 1.4005 2.3521 2.3521 7.0955 7.0955 7.9332 7.9332 9.3047 9.3047 10.2980 10.2980 12.6303 12.6303 13.7647 13.7647 18.1550 18.1550 k = 0.5299 0.4853 0.4217 ( 2254 PWs) bands (ev): -12.8194 -12.8194 -12.7949 -12.7949 -12.7718 -12.7718 -12.7667 -12.7667 -9.8900 -9.8900 -9.8607 -9.8607 -9.8283 -9.8283 -9.8107 -9.8107 -9.7301 -9.7301 -9.7151 -9.7151 1.4064 1.4064 2.3552 2.3552 7.1133 7.1133 7.9010 7.9010 9.3200 9.3200 10.4098 10.4098 12.5819 12.5819 13.5912 13.5912 18.1802 18.1802 k = 0.5239 0.4798 0.4332 ( 2256 PWs) bands (ev): -12.8193 -12.8193 -12.7946 -12.7946 -12.7715 -12.7715 -12.7672 -12.7672 -9.8897 -9.8897 -9.8607 -9.8607 -9.8287 -9.8287 -9.8106 -9.8106 -9.7284 -9.7284 -9.7163 -9.7163 1.4113 1.4113 2.3576 2.3576 7.1308 7.1308 7.8701 7.8701 9.3333 9.3333 10.5147 10.5147 12.5451 12.5451 13.4334 13.4334 18.2029 18.2029 k = 0.5179 0.4743 0.4446 ( 2254 PWs) bands (ev): -12.8192 -12.8192 -12.7944 -12.7944 -12.7712 -12.7712 -12.7677 -12.7677 -9.8894 -9.8894 -9.8607 -9.8607 -9.8291 -9.8291 -9.8105 -9.8105 -9.7267 -9.7267 -9.7175 -9.7175 1.4151 1.4151 2.3593 2.3593 7.1466 7.1466 7.8426 7.8426 9.3444 9.3444 10.6063 10.6063 12.5202 12.5202 13.2970 13.2970 18.2219 18.2219 k = 0.5120 0.4689 0.4561 ( 2250 PWs) bands (ev): -12.8191 -12.8191 -12.7943 -12.7943 -12.7710 -12.7710 -12.7681 -12.7681 -9.8892 -9.8892 -9.8607 -9.8607 -9.8294 -9.8294 -9.8105 -9.8105 -9.7251 -9.7251 -9.7189 -9.7189 1.4179 1.4179 2.3606 2.3606 7.1595 7.1595 7.8210 7.8210 9.3527 9.3527 10.6783 10.6783 12.5062 12.5062 13.1891 13.1891 18.2362 18.2362 k = 0.5060 0.4634 0.4676 ( 2248 PWs) bands (ev): -12.8190 -12.8190 -12.7942 -12.7942 -12.7707 -12.7707 -12.7685 -12.7685 -9.8890 -9.8890 -9.8607 -9.8607 -9.8296 -9.8296 -9.8104 -9.8104 -9.7234 -9.7234 -9.7203 -9.7203 1.4195 1.4195 2.3613 2.3613 7.1679 7.1679 7.8070 7.8070 9.3579 9.3579 10.7245 10.7245 12.5004 12.5004 13.1187 13.1187 18.2451 18.2451 k = 0.5000 0.4579 0.4790 ( 2242 PWs) bands (ev): -12.8190 -12.8190 -12.7941 -12.7941 -12.7706 -12.7706 -12.7686 -12.7686 -9.8890 -9.8890 -9.8607 -9.8607 -9.8297 -9.8297 -9.8104 -9.8104 -9.7221 -9.7221 -9.7216 -9.7216 1.4201 1.4201 2.3615 2.3615 7.1709 7.1709 7.8022 7.8022 9.3596 9.3596 10.7404 10.7404 12.4991 12.4991 13.0941 13.0941 18.2481 18.2481 k = 0.5000 0.4579 0.4790 ( 2242 PWs) bands (ev): -12.8190 -12.8190 -12.7941 -12.7941 -12.7706 -12.7706 -12.7686 -12.7686 -9.8890 -9.8890 -9.8607 -9.8607 -9.8297 -9.8297 -9.8104 -9.8104 -9.7221 -9.7221 -9.7216 -9.7216 1.4201 1.4201 2.3615 2.3615 7.1709 7.1709 7.8022 7.8022 9.3596 9.3596 10.7404 10.7404 12.4991 12.4991 13.0941 13.0941 18.2481 18.2481 k = 0.5095 0.4476 0.4790 ( 2246 PWs) bands (ev): -12.8190 -12.8190 -12.7941 -12.7941 -12.7708 -12.7708 -12.7684 -12.7684 -9.8891 -9.8891 -9.8606 -9.8606 -9.8297 -9.8297 -9.8103 -9.8103 -9.7242 -9.7242 -9.7195 -9.7195 1.4211 1.4211 2.3597 2.3597 7.1661 7.1661 7.8038 7.8038 9.3643 9.3643 10.7425 10.7425 12.5046 12.5046 13.0953 13.0953 18.2448 18.2448 k = 0.5189 0.4373 0.4790 ( 2250 PWs) bands (ev): -12.8189 -12.8189 -12.7941 -12.7941 -12.7713 -12.7713 -12.7681 -12.7681 -9.8893 -9.8893 -9.8605 -9.8605 -9.8300 -9.8300 -9.8098 -9.8098 -9.7266 -9.7266 -9.7172 -9.7172 1.4240 1.4240 2.3541 2.3541 7.1522 7.1522 7.8077 7.8077 9.3784 9.3784 10.7485 10.7485 12.5210 12.5210 13.0990 13.0990 18.2347 18.2347 k = 0.5284 0.4269 0.4790 ( 2254 PWs) bands (ev): -12.8188 -12.8188 -12.7940 -12.7940 -12.7719 -12.7719 -12.7677 -12.7677 -9.8896 -9.8896 -9.8604 -9.8604 -9.8303 -9.8303 -9.8090 -9.8090 -9.7290 -9.7290 -9.7150 -9.7150 1.4289 1.4289 2.3448 2.3448 7.1310 7.1310 7.8121 7.8121 9.4026 9.4026 10.7586 10.7586 12.5479 12.5479 13.1054 13.1054 18.2181 18.2181 k = 0.5378 0.4166 0.4790 ( 2256 PWs) bands (ev): -12.8187 -12.8187 -12.7939 -12.7939 -12.7726 -12.7726 -12.7673 -12.7673 -9.8900 -9.8900 -9.8602 -9.8602 -9.8308 -9.8308 -9.8079 -9.8079 -9.7313 -9.7313 -9.7129 -9.7129 1.4357 1.4357 2.3318 2.3318 7.1045 7.1045 7.8148 7.8148 9.4373 9.4373 10.7726 10.7726 12.5844 12.5844 13.1146 13.1146 18.1954 18.1954 k = 0.5473 0.4063 0.4790 ( 2254 PWs) bands (ev): -12.8186 -12.8186 -12.7938 -12.7938 -12.7733 -12.7733 -12.7669 -12.7669 -9.8905 -9.8905 -9.8601 -9.8601 -9.8313 -9.8313 -9.8066 -9.8066 -9.7337 -9.7337 -9.7108 -9.7108 1.4445 1.4445 2.3153 2.3153 7.0747 7.0747 7.8133 7.8133 9.4832 9.4832 10.7905 10.7905 12.6295 12.6295 13.1273 13.1273 18.1670 18.1670 k = 0.5567 0.3960 0.4790 ( 2252 PWs) bands (ev): -12.8184 -12.8184 -12.7937 -12.7937 -12.7741 -12.7741 -12.7665 -12.7665 -9.8909 -9.8909 -9.8601 -9.8601 -9.8318 -9.8318 -9.8051 -9.8051 -9.7360 -9.7360 -9.7089 -9.7089 1.4552 1.4552 2.2953 2.2953 7.0437 7.0437 7.8060 7.8060 9.5406 9.5406 10.8121 10.8121 12.6818 12.6818 13.1441 13.1441 18.1336 18.1336 k = 0.5662 0.3856 0.4790 ( 2254 PWs) bands (ev): -12.8181 -12.8181 -12.7936 -12.7936 -12.7749 -12.7749 -12.7662 -12.7662 -9.8914 -9.8914 -9.8603 -9.8603 -9.8324 -9.8324 -9.8033 -9.8033 -9.7382 -9.7382 -9.7071 -9.7071 1.4678 1.4678 2.2719 2.2719 7.0129 7.0129 7.7918 7.7918 9.6094 9.6094 10.8376 10.8376 12.7392 12.7392 13.1660 13.1660 18.0957 18.0957 k = 0.5756 0.3753 0.4790 ( 2250 PWs) bands (ev): -12.8179 -12.8179 -12.7935 -12.7935 -12.7757 -12.7757 -12.7659 -12.7659 -9.8919 -9.8919 -9.8606 -9.8606 -9.8329 -9.8329 -9.8014 -9.8014 -9.7404 -9.7404 -9.7054 -9.7054 1.4822 1.4822 2.2452 2.2452 6.9837 6.9837 7.7703 7.7703 9.6891 9.6891 10.8668 10.8668 12.7993 12.7993 13.1946 13.1946 18.0540 18.0540 k = 0.5851 0.3650 0.4790 ( 2244 PWs) bands (ev): -12.8176 -12.8176 -12.7934 -12.7934 -12.7765 -12.7765 -12.7657 -12.7657 -9.8923 -9.8923 -9.8611 -9.8611 -9.8333 -9.8333 -9.7992 -9.7992 -9.7424 -9.7424 -9.7038 -9.7038 1.4984 1.4984 2.2155 2.2155 6.9569 6.9569 7.7418 7.7418 9.7787 9.7787 10.9001 10.9001 12.8589 12.8589 13.2319 13.2319 18.0091 18.0091 k = 0.5945 0.3547 0.4790 ( 2240 PWs) bands (ev): -12.8172 -12.8172 -12.7932 -12.7932 -12.7773 -12.7773 -12.7655 -12.7655 -9.8926 -9.8926 -9.8618 -9.8618 -9.8337 -9.8337 -9.7969 -9.7969 -9.7444 -9.7444 -9.7024 -9.7024 1.5164 1.5164 2.1828 2.1828 6.9333 6.9333 7.7069 7.7069 9.8770 9.8770 10.9376 10.9376 12.9150 12.9150 13.2800 13.2800 17.9617 17.9617 k = 0.6040 0.3444 0.4790 ( 2240 PWs) bands (ev): -12.8169 -12.8169 -12.7932 -12.7932 -12.7781 -12.7781 -12.7653 -12.7653 -9.8928 -9.8928 -9.8628 -9.8628 -9.8341 -9.8341 -9.7945 -9.7945 -9.7463 -9.7463 -9.7012 -9.7012 1.5362 1.5362 2.1473 2.1473 6.9134 6.9134 7.6665 7.6665 9.9823 9.9823 10.9798 10.9798 12.9651 12.9651 13.3398 13.3398 17.9126 17.9126 k = 0.6134 0.3340 0.4790 ( 2238 PWs) bands (ev): -12.8165 -12.8165 -12.7931 -12.7931 -12.7789 -12.7789 -12.7652 -12.7652 -9.8929 -9.8929 -9.8640 -9.8640 -9.8344 -9.8344 -9.7920 -9.7920 -9.7480 -9.7480 -9.7001 -9.7001 1.5576 1.5576 2.1093 2.1093 6.8975 6.8975 7.6216 7.6216 10.0929 10.0929 11.0272 11.0272 13.0086 13.0086 13.4108 13.4108 17.8622 17.8622 k = 0.6229 0.3237 0.4790 ( 2238 PWs) bands (ev): -12.8161 -12.8161 -12.7932 -12.7932 -12.7796 -12.7796 -12.7652 -12.7652 -9.8929 -9.8929 -9.8653 -9.8653 -9.8347 -9.8347 -9.7894 -9.7894 -9.7496 -9.7496 -9.6991 -9.6991 1.5806 1.5806 2.0690 2.0690 6.8859 6.8859 7.5732 7.5732 10.2069 10.2069 11.0806 11.0806 13.0464 13.0464 13.4905 13.4905 17.8112 17.8112 k = 0.6324 0.3134 0.4790 ( 2244 PWs) bands (ev): -12.8156 -12.8156 -12.7933 -12.7933 -12.7802 -12.7802 -12.7651 -12.7651 -9.8929 -9.8929 -9.8668 -9.8668 -9.8350 -9.8350 -9.7868 -9.7868 -9.7511 -9.7511 -9.6983 -9.6983 1.6051 1.6051 2.0266 2.0266 6.8787 6.8787 7.5223 7.5223 10.3219 10.3219 11.1410 11.1410 13.0801 13.0801 13.5757 13.5757 17.7601 17.7601 k = 0.6418 0.3031 0.4790 ( 2244 PWs) bands (ev): -12.8151 -12.8151 -12.7935 -12.7935 -12.7807 -12.7807 -12.7651 -12.7651 -9.8927 -9.8927 -9.8684 -9.8684 -9.8353 -9.8353 -9.7841 -9.7841 -9.7524 -9.7524 -9.6977 -9.6977 1.6311 1.6311 1.9824 1.9824 6.8759 6.8759 7.4698 7.4698 10.4357 10.4357 11.2096 11.2096 13.1113 13.1113 13.6629 13.6629 17.7094 17.7094 k = 0.6513 0.2927 0.4790 ( 2246 PWs) bands (ev): -12.8146 -12.8146 -12.7937 -12.7937 -12.7811 -12.7811 -12.7651 -12.7651 -9.8924 -9.8924 -9.8701 -9.8701 -9.8355 -9.8355 -9.7815 -9.7815 -9.7535 -9.7535 -9.6972 -9.6972 1.6583 1.6583 1.9366 1.9366 6.8773 6.8773 7.4167 7.4167 10.5459 10.5459 11.2874 11.2874 13.1413 13.1413 13.7488 13.7488 17.6591 17.6591 k = 0.6607 0.2824 0.4790 ( 2248 PWs) bands (ev): -12.8141 -12.8141 -12.7941 -12.7941 -12.7815 -12.7815 -12.7652 -12.7652 -9.8921 -9.8921 -9.8718 -9.8718 -9.8359 -9.8359 -9.7789 -9.7789 -9.7545 -9.7545 -9.6969 -9.6969 1.6867 1.6867 1.8896 1.8896 6.8827 6.8827 7.3640 7.3640 10.6505 10.6505 11.3754 11.3754 13.1711 13.1711 13.8300 13.8300 17.6093 17.6093 k = 0.6702 0.2721 0.4790 ( 2246 PWs) bands (ev): -12.8135 -12.8135 -12.7946 -12.7946 -12.7817 -12.7817 -12.7653 -12.7653 -9.8917 -9.8917 -9.8735 -9.8735 -9.8362 -9.8362 -9.7765 -9.7765 -9.7552 -9.7552 -9.6967 -9.6967 1.7156 1.7156 1.8421 1.8421 6.8917 6.8917 7.3127 7.3127 10.7479 10.7479 11.4736 11.4736 13.2016 13.2016 13.9030 13.9030 17.5590 17.5590 k = 0.6796 0.2618 0.4790 ( 2244 PWs) bands (ev): -12.8130 -12.8130 -12.7951 -12.7951 -12.7818 -12.7818 -12.7654 -12.7654 -9.8914 -9.8914 -9.8749 -9.8749 -9.8366 -9.8366 -9.7742 -9.7742 -9.7558 -9.7558 -9.6967 -9.6967 1.7420 1.7420 1.7973 1.7973 6.9035 6.9035 7.2640 7.2640 10.8375 10.8375 11.5813 11.5813 13.2334 13.2334 13.9645 13.9645 17.5053 17.5053 k = 0.3204-0.3498 0.7313 ( 2244 PWs) bands (ev): -12.8130 -12.8130 -12.7951 -12.7951 -12.7818 -12.7818 -12.7654 -12.7654 -9.8914 -9.8914 -9.8749 -9.8749 -9.8366 -9.8366 -9.7742 -9.7742 -9.7558 -9.7558 -9.6967 -9.6967 1.7420 1.7420 1.7973 1.7973 6.9035 6.9035 7.2640 7.2640 10.8375 10.8375 11.5813 11.5813 13.2334 13.2334 13.9645 13.9645 17.5053 17.5053 k = 0.3107-0.3392 0.7313 ( 2240 PWs) bands (ev): -12.8124 -12.8124 -12.7957 -12.7957 -12.7818 -12.7818 -12.7655 -12.7655 -9.8913 -9.8913 -9.8762 -9.8762 -9.8370 -9.8370 -9.7721 -9.7721 -9.7560 -9.7560 -9.6968 -9.6968 1.7307 1.7307 1.7901 1.7901 6.9170 6.9170 7.2186 7.2186 10.9216 10.9216 11.6996 11.6996 13.2681 13.2681 14.0121 14.0121 17.4427 17.4427 k = 0.3010-0.3286 0.7313 ( 2240 PWs) bands (ev): -12.8119 -12.8119 -12.7963 -12.7963 -12.7818 -12.7818 -12.7657 -12.7657 -9.8915 -9.8915 -9.8769 -9.8769 -9.8374 -9.8374 -9.7704 -9.7704 -9.7559 -9.7559 -9.6971 -9.6971 1.6829 1.6829 1.8199 1.8199 6.9293 6.9293 7.1808 7.1808 10.9987 10.9987 11.8230 11.8230 13.3052 13.3052 14.0411 14.0411 17.3783 17.3783 k = 0.2913-0.3180 0.7313 ( 2236 PWs) bands (ev): -12.8115 -12.8115 -12.7968 -12.7968 -12.7817 -12.7817 -12.7659 -12.7659 -9.8921 -9.8921 -9.8772 -9.8772 -9.8379 -9.8379 -9.7691 -9.7691 -9.7554 -9.7554 -9.6974 -9.6974 1.6315 1.6315 1.8537 1.8537 6.9360 6.9360 7.1555 7.1555 11.0698 11.0698 11.9481 11.9481 13.3451 13.3451 14.0496 14.0496 17.3256 17.3256 k = 0.2815-0.3074 0.7313 ( 2238 PWs) bands (ev): -12.8111 -12.8111 -12.7973 -12.7973 -12.7816 -12.7816 -12.7661 -12.7661 -9.8931 -9.8931 -9.8768 -9.8768 -9.8385 -9.8385 -9.7682 -9.7682 -9.7546 -9.7546 -9.6979 -9.6979 1.5795 1.5795 1.8887 1.8887 6.9318 6.9318 7.1480 7.1480 11.1358 11.1358 12.0712 12.0712 13.3873 13.3873 14.0381 14.0381 17.2905 17.2905 k = 0.2718-0.2968 0.7313 ( 2240 PWs) bands (ev): -12.8109 -12.8109 -12.7977 -12.7977 -12.7814 -12.7814 -12.7663 -12.7663 -9.8944 -9.8944 -9.8759 -9.8759 -9.8390 -9.8390 -9.7677 -9.7677 -9.7535 -9.7535 -9.6984 -9.6984 1.5274 1.5274 1.9245 1.9245 6.9158 6.9158 7.1595 7.1595 11.1975 11.1975 12.1888 12.1888 13.4298 13.4298 14.0101 14.0101 17.2705 17.2705 k = 0.2621-0.2862 0.7313 ( 2244 PWs) bands (ev): -12.8108 -12.8108 -12.7979 -12.7979 -12.7812 -12.7812 -12.7665 -12.7665 -9.8960 -9.8960 -9.8747 -9.8747 -9.8396 -9.8396 -9.7674 -9.7674 -9.7523 -9.7523 -9.6990 -9.6990 1.4757 1.4757 1.9608 1.9608 6.8921 6.8921 7.1859 7.1859 11.2551 11.2551 12.2977 12.2977 13.4669 13.4669 13.9744 13.9744 17.2595 17.2595 k = 0.2524-0.2756 0.7313 ( 2244 PWs) bands (ev): -12.8108 -12.8108 -12.7980 -12.7980 -12.7810 -12.7810 -12.7667 -12.7667 -9.8976 -9.8976 -9.8732 -9.8732 -9.8402 -9.8402 -9.7672 -9.7672 -9.7511 -9.7511 -9.6996 -9.6996 1.4245 1.4245 1.9972 1.9972 6.8656 6.8656 7.2225 7.2225 11.3087 11.3087 12.3950 12.3950 13.4870 13.4870 13.9465 13.9465 17.2526 17.2526 k = 0.2427-0.2650 0.7313 ( 2246 PWs) bands (ev): -12.8111 -12.8111 -12.7978 -12.7978 -12.7809 -12.7809 -12.7669 -12.7669 -9.8993 -9.8993 -9.8715 -9.8715 -9.8408 -9.8408 -9.7671 -9.7671 -9.7499 -9.7499 -9.7003 -9.7003 1.3739 1.3739 2.0337 2.0337 6.8397 6.8397 7.2659 7.2659 11.3579 11.3579 12.4789 12.4789 13.4738 13.4738 13.9463 13.9463 17.2482 17.2482 k = 0.2330-0.2544 0.7313 ( 2244 PWs) bands (ev): -12.8115 -12.8115 -12.7975 -12.7975 -12.7807 -12.7807 -12.7671 -12.7671 -9.9010 -9.9010 -9.8698 -9.8698 -9.8414 -9.8414 -9.7671 -9.7671 -9.7489 -9.7489 -9.7010 -9.7010 1.3243 1.3243 2.0701 2.0701 6.8160 6.8160 7.3143 7.3143 11.4018 11.4018 12.5480 12.5480 13.4224 13.4224 13.9822 13.9822 17.2463 17.2463 k = 0.2233-0.2438 0.7313 ( 2240 PWs) bands (ev): -12.8120 -12.8120 -12.7970 -12.7970 -12.7806 -12.7806 -12.7673 -12.7673 -9.9025 -9.9025 -9.8680 -9.8680 -9.8418 -9.8418 -9.7671 -9.7671 -9.7481 -9.7481 -9.7016 -9.7016 1.2758 1.2758 2.1061 2.1061 6.7957 6.7957 7.3667 7.3667 11.4393 11.4393 12.6018 12.6018 13.3447 13.3447 14.0444 14.0444 17.2474 17.2474 k = 0.2136-0.2332 0.7313 ( 2240 PWs) bands (ev): -12.8126 -12.8126 -12.7964 -12.7964 -12.7805 -12.7805 -12.7675 -12.7675 -9.9041 -9.9041 -9.8664 -9.8664 -9.8421 -9.8421 -9.7671 -9.7671 -9.7475 -9.7475 -9.7023 -9.7023 1.2285 1.2285 2.1417 2.1417 6.7794 6.7794 7.4222 7.4222 11.4686 11.4686 12.6397 12.6397 13.2568 13.2568 14.1189 14.1189 17.2510 17.2510 k = 0.2039-0.2226 0.7313 ( 2242 PWs) bands (ev): -12.8133 -12.8133 -12.7957 -12.7957 -12.7804 -12.7804 -12.7677 -12.7677 -9.9054 -9.9054 -9.8649 -9.8649 -9.8421 -9.8421 -9.7671 -9.7671 -9.7471 -9.7471 -9.7029 -9.7029 1.1825 1.1825 2.1765 2.1765 6.7677 6.7677 7.4802 7.4802 11.4873 11.4873 12.6613 12.6613 13.1717 13.1717 14.1948 14.1948 17.2546 17.2546 k = 0.1942-0.2120 0.7313 ( 2240 PWs) bands (ev): -12.8141 -12.8141 -12.7950 -12.7950 -12.7803 -12.7803 -12.7678 -12.7678 -9.9067 -9.9067 -9.8638 -9.8638 -9.8419 -9.8419 -9.7671 -9.7671 -9.7469 -9.7469 -9.7035 -9.7035 1.1380 1.1380 2.2104 2.2104 6.7608 6.7608 7.5401 7.5401 11.4924 11.4924 12.6661 12.6661 13.0991 13.0991 14.2640 14.2640 17.2531 17.2531 k = 0.1845-0.2014 0.7313 ( 2238 PWs) bands (ev): -12.8148 -12.8148 -12.7941 -12.7941 -12.7803 -12.7803 -12.7680 -12.7680 -9.9078 -9.9078 -9.8631 -9.8631 -9.8412 -9.8412 -9.7670 -9.7670 -9.7470 -9.7470 -9.7041 -9.7041 1.0951 1.0951 2.2434 2.2434 6.7590 6.7590 7.6015 7.6015 11.4810 11.4810 12.6560 12.6560 13.0452 13.0452 14.3205 14.3205 17.2458 17.2458 k = 0.1748-0.1908 0.7313 ( 2240 PWs) bands (ev): -12.8156 -12.8156 -12.7933 -12.7933 -12.7803 -12.7803 -12.7681 -12.7681 -9.9088 -9.9088 -9.8628 -9.8628 -9.8400 -9.8400 -9.7669 -9.7669 -9.7472 -9.7472 -9.7046 -9.7046 1.0538 1.0538 2.2751 2.2751 6.7624 6.7624 7.6637 7.6637 11.4504 11.4504 12.6368 12.6368 13.0099 13.0099 14.3599 14.3599 17.2442 17.2442 k = 0.1650-0.1802 0.7313 ( 2242 PWs) bands (ev): -12.8164 -12.8164 -12.7924 -12.7924 -12.7803 -12.7803 -12.7682 -12.7682 -9.9096 -9.9096 -9.8631 -9.8631 -9.8384 -9.8384 -9.7668 -9.7668 -9.7476 -9.7476 -9.7052 -9.7052 1.0144 1.0144 2.3055 2.3055 6.7712 6.7712 7.7262 7.7262 11.3994 11.3994 12.6170 12.6170 12.9886 12.9886 14.3801 14.3801 17.2578 17.2578 k = 0.1553-0.1696 0.7313 ( 2248 PWs) bands (ev): -12.8171 -12.8171 -12.7915 -12.7915 -12.7804 -12.7804 -12.7683 -12.7683 -9.9102 -9.9102 -9.8638 -9.8638 -9.8365 -9.8365 -9.7667 -9.7667 -9.7480 -9.7480 -9.7058 -9.7058 0.9768 0.9768 2.3344 2.3344 6.7852 6.7852 7.7885 7.7885 11.3292 11.3292 12.6034 12.6034 12.9755 12.9755 14.3810 14.3810 17.2874 17.2874 k = 0.1456-0.1590 0.7313 ( 2246 PWs) bands (ev): -12.8178 -12.8178 -12.7906 -12.7906 -12.7805 -12.7805 -12.7683 -12.7683 -9.9107 -9.9107 -9.8648 -9.8648 -9.8344 -9.8344 -9.7665 -9.7665 -9.7486 -9.7486 -9.7065 -9.7065 0.9412 0.9412 2.3618 2.3618 6.8045 6.8045 7.8499 7.8499 11.2425 11.2425 12.5985 12.5985 12.9668 12.9668 14.3640 14.3640 17.3300 17.3300 k = 0.1359-0.1484 0.7313 ( 2246 PWs) bands (ev): -12.8185 -12.8185 -12.7898 -12.7898 -12.7806 -12.7806 -12.7684 -12.7684 -9.9110 -9.9110 -9.8660 -9.8660 -9.8321 -9.8321 -9.7662 -9.7662 -9.7493 -9.7493 -9.7071 -9.7071 0.9076 0.9076 2.3875 2.3875 6.8289 6.8289 7.9096 7.9096 11.1436 11.1436 12.6020 12.6020 12.9601 12.9601 14.3322 14.3322 17.3816 17.3816 k = 0.1262-0.1378 0.7313 ( 2252 PWs) bands (ev): -12.8192 -12.8192 -12.7890 -12.7890 -12.7807 -12.7807 -12.7684 -12.7684 -9.9111 -9.9111 -9.8675 -9.8675 -9.8298 -9.8298 -9.7659 -9.7659 -9.7500 -9.7500 -9.7078 -9.7078 0.8760 0.8760 2.4115 2.4115 6.8582 6.8582 7.9671 7.9671 11.0368 11.0368 12.6116 12.6116 12.9544 12.9544 14.2889 14.2889 17.4392 17.4392 k = 0.1165-0.1272 0.7313 ( 2256 PWs) bands (ev): -12.8198 -12.8198 -12.7882 -12.7882 -12.7808 -12.7808 -12.7685 -12.7685 -9.9110 -9.9110 -9.8692 -9.8692 -9.8274 -9.8274 -9.7656 -9.7656 -9.7507 -9.7507 -9.7086 -9.7086 0.8466 0.8466 2.4337 2.4337 6.8920 6.8920 8.0213 8.0213 10.9262 10.9262 12.6247 12.6247 12.9498 12.9498 14.2379 14.2379 17.5013 17.5013 k = 0.1068-0.1166 0.7313 ( 2254 PWs) bands (ev): -12.8203 -12.8203 -12.7875 -12.7875 -12.7809 -12.7809 -12.7685 -12.7685 -9.9108 -9.9108 -9.8710 -9.8710 -9.8251 -9.8251 -9.7651 -9.7651 -9.7514 -9.7514 -9.7094 -9.7094 0.8194 0.8194 2.4541 2.4541 6.9301 6.9301 8.0716 8.0716 10.8151 10.8151 12.6383 12.6383 12.9466 12.9466 14.1824 14.1824 17.5671 17.5671 k = 0.0971-0.1060 0.7313 ( 2254 PWs) bands (ev): -12.8209 -12.8209 -12.7868 -12.7868 -12.7810 -12.7810 -12.7685 -12.7685 -9.9104 -9.9104 -9.8729 -9.8729 -9.8228 -9.8228 -9.7647 -9.7647 -9.7521 -9.7521 -9.7103 -9.7103 0.7945 0.7945 2.4726 2.4726 6.9717 6.9717 8.1170 8.1170 10.7066 10.7066 12.6501 12.6501 12.9456 12.9456 14.1253 14.1253 17.6363 17.6363 k = 0.0874-0.0954 0.7313 ( 2250 PWs) bands (ev): -12.8213 -12.8213 -12.7862 -12.7862 -12.7811 -12.7811 -12.7685 -12.7685 -9.9098 -9.9098 -9.8748 -9.8748 -9.8207 -9.8207 -9.7641 -9.7641 -9.7528 -9.7528 -9.7112 -9.7112 0.7717 0.7717 2.4892 2.4892 7.0161 7.0161 8.1567 8.1567 10.6031 10.6031 12.6581 12.6581 12.9476 12.9476 14.0691 14.0691 17.7089 17.7089 k = 0.0777-0.0848 0.7313 ( 2250 PWs) bands (ev): -12.8218 -12.8218 -12.7857 -12.7857 -12.7811 -12.7811 -12.7686 -12.7686 -9.9091 -9.9091 -9.8768 -9.8768 -9.8188 -9.8188 -9.7635 -9.7635 -9.7534 -9.7534 -9.7122 -9.7122 0.7513 0.7513 2.5040 2.5040 7.0627 7.0627 8.1900 8.1900 10.5067 10.5067 12.6610 12.6610 12.9530 12.9530 14.0157 14.0157 17.7843 17.7843 k = 0.0680-0.0742 0.7313 ( 2252 PWs) bands (ev): -12.8221 -12.8221 -12.7852 -12.7852 -12.7811 -12.7811 -12.7686 -12.7686 -9.9082 -9.9082 -9.8788 -9.8788 -9.8170 -9.8170 -9.7629 -9.7629 -9.7539 -9.7539 -9.7131 -9.7131 0.7333 0.7333 2.5170 2.5170 7.1101 7.1101 8.2165 8.2165 10.4192 10.4192 12.6589 12.6589 12.9615 12.9615 13.9665 13.9665 17.8622 17.8622 k = 0.0583-0.0636 0.7313 ( 2258 PWs) bands (ev): -12.8225 -12.8225 -12.7849 -12.7849 -12.7811 -12.7811 -12.7686 -12.7686 -9.9073 -9.9073 -9.8808 -9.8808 -9.8155 -9.8155 -9.7623 -9.7623 -9.7544 -9.7544 -9.7141 -9.7141 0.7176 0.7176 2.5282 2.5282 7.1572 7.1572 8.2359 8.2359 10.3419 10.3419 12.6525 12.6525 12.9721 12.9721 13.9226 13.9226 17.9417 17.9417 k = 0.0485-0.0530 0.7313 ( 2270 PWs) bands (ev): -12.8228 -12.8228 -12.7846 -12.7846 -12.7810 -12.7810 -12.7686 -12.7686 -9.9062 -9.9062 -9.8828 -9.8828 -9.8142 -9.8142 -9.7616 -9.7616 -9.7548 -9.7548 -9.7149 -9.7149 0.7042 0.7042 2.5376 2.5376 7.2023 7.2023 8.2485 8.2485 10.2759 10.2759 12.6434 12.6434 12.9837 12.9837 13.8847 13.8847 18.0215 18.0215 k = 0.0388-0.0424 0.7313 ( 2270 PWs) bands (ev): -12.8230 -12.8230 -12.7845 -12.7845 -12.7809 -12.7809 -12.7687 -12.7687 -9.9051 -9.9051 -9.8846 -9.8846 -9.8131 -9.8131 -9.7610 -9.7610 -9.7552 -9.7552 -9.7157 -9.7157 0.6933 0.6933 2.5452 2.5452 7.2436 7.2436 8.2554 8.2554 10.2218 10.2218 12.6332 12.6332 12.9950 12.9950 13.8535 13.8535 18.0988 18.0988 k = 0.0291-0.0318 0.7313 ( 2272 PWs) bands (ev): -12.8232 -12.8232 -12.7844 -12.7844 -12.7808 -12.7808 -12.7687 -12.7687 -9.9041 -9.9041 -9.8862 -9.8862 -9.8123 -9.8123 -9.7604 -9.7604 -9.7555 -9.7555 -9.7164 -9.7164 0.6848 0.6848 2.5511 2.5511 7.2790 7.2790 8.2578 8.2578 10.1799 10.1799 12.6235 12.6235 13.0049 13.0049 13.8290 13.8290 18.1654 18.1654 k = 0.0194-0.0212 0.7313 ( 2272 PWs) bands (ev): -12.8233 -12.8233 -12.7843 -12.7843 -12.7807 -12.7807 -12.7687 -12.7687 -9.9031 -9.9031 -9.8876 -9.8876 -9.8117 -9.8117 -9.7600 -9.7600 -9.7557 -9.7557 -9.7169 -9.7169 0.6787 0.6787 2.5553 2.5553 7.3064 7.3064 8.2576 8.2576 10.1502 10.1502 12.6156 12.6156 13.0125 13.0125 13.8114 13.8114 18.1912 18.1912 k = 0.0097-0.0106 0.7313 ( 2274 PWs) bands (ev): -12.8234 -12.8234 -12.7843 -12.7843 -12.7806 -12.7806 -12.7687 -12.7687 -9.9025 -9.9025 -9.8885 -9.8885 -9.8113 -9.8113 -9.7597 -9.7597 -9.7558 -9.7558 -9.7172 -9.7172 0.6750 0.6750 2.5578 2.5578 7.3237 7.3237 8.2565 8.2565 10.1324 10.1324 12.6104 12.6104 13.0173 13.0173 13.8009 13.8009 18.1989 18.1989 k = 0.0000 0.0000 0.7313 ( 2272 PWs) bands (ev): -12.8234 -12.8234 -12.7842 -12.7842 -12.7806 -12.7806 -12.7687 -12.7687 -9.9022 -9.9022 -9.8888 -9.8888 -9.8112 -9.8112 -9.7596 -9.7596 -9.7559 -9.7559 -9.7173 -9.7173 0.6738 0.6738 2.5586 2.5586 7.3297 7.3297 8.2560 8.2560 10.1265 10.1265 12.6086 12.6086 13.0190 13.0190 13.7974 13.7974 18.2013 18.2013 k = 0.0000 0.0000 0.7313 ( 2272 PWs) bands (ev): -12.8234 -12.8234 -12.7842 -12.7842 -12.7806 -12.7806 -12.7687 -12.7687 -9.9022 -9.9022 -9.8888 -9.8888 -9.8112 -9.8112 -9.7596 -9.7596 -9.7559 -9.7559 -9.7173 -9.7173 0.6738 0.6738 2.5586 2.5586 7.3297 7.3297 8.2560 8.2560 10.1265 10.1265 12.6086 12.6086 13.0190 13.0190 13.7974 13.7974 18.2013 18.2013 k = 0.0105 0.0096 0.7313 ( 2274 PWs) bands (ev): -12.8234 -12.8234 -12.7844 -12.7844 -12.7805 -12.7805 -12.7687 -12.7687 -9.9023 -9.9023 -9.8887 -9.8887 -9.8111 -9.8111 -9.7607 -9.7607 -9.7549 -9.7549 -9.7173 -9.7173 0.6746 0.6746 2.5584 2.5584 7.3241 7.3241 8.2623 8.2623 10.1245 10.1245 12.5731 12.5731 13.0426 13.0426 13.8086 13.8086 18.1028 18.1028 k = 0.0211 0.0193 0.7313 ( 2274 PWs) bands (ev): -12.8234 -12.8234 -12.7848 -12.7848 -12.7802 -12.7802 -12.7686 -12.7686 -9.9025 -9.9025 -9.8884 -9.8884 -9.8110 -9.8110 -9.7629 -9.7629 -9.7532 -9.7532 -9.7171 -9.7171 0.6768 0.6768 2.5578 2.5578 7.3080 7.3080 8.2805 8.2805 10.1185 10.1185 12.4841 12.4841 13.0969 13.0969 13.8411 13.8411 17.9781 17.9781 k = 0.0316 0.0289 0.7313 ( 2275 PWs) bands (ev): -12.8235 -12.8235 -12.7853 -12.7853 -12.7798 -12.7798 -12.7685 -12.7685 -9.9029 -9.9029 -9.8880 -9.8880 -9.8107 -9.8107 -9.7653 -9.7653 -9.7515 -9.7515 -9.7168 -9.7168 0.6806 0.6806 2.5567 2.5567 7.2831 7.2831 8.3088 8.3088 10.1089 10.1089 12.3660 12.3660 13.1609 13.1609 13.8910 13.8910 17.8643 17.8643 k = 0.0421 0.0386 0.7313 ( 2277 PWs) bands (ev): -12.8235 -12.8235 -12.7859 -12.7859 -12.7793 -12.7793 -12.7683 -12.7683 -9.9034 -9.9034 -9.8874 -9.8874 -9.8104 -9.8104 -9.7679 -9.7679 -9.7499 -9.7499 -9.7164 -9.7164 0.6859 0.6859 2.5551 2.5551 7.2514 7.2514 8.3444 8.3444 10.0963 10.0963 12.2319 12.2319 13.2261 13.2261 13.9530 13.9530 17.7650 17.7650 k = 0.0526 0.0482 0.7313 ( 2277 PWs) bands (ev): -12.8236 -12.8236 -12.7866 -12.7866 -12.7788 -12.7788 -12.7680 -12.7680 -9.9039 -9.9039 -9.8867 -9.8867 -9.8100 -9.8100 -9.7707 -9.7707 -9.7484 -9.7484 -9.7159 -9.7159 0.6927 0.6927 2.5530 2.5530 7.2151 7.2151 8.3847 8.3847 10.0814 10.0814 12.0882 12.0882 13.2910 13.2910 14.0216 14.0216 17.6821 17.6821 k = 0.0632 0.0579 0.7313 ( 2268 PWs) bands (ev): -12.8236 -12.8236 -12.7874 -12.7874 -12.7784 -12.7784 -12.7678 -12.7678 -9.9044 -9.9044 -9.8859 -9.8859 -9.8095 -9.8095 -9.7735 -9.7735 -9.7470 -9.7470 -9.7154 -9.7154 0.7008 0.7008 2.5505 2.5505 7.1762 7.1762 8.4268 8.4268 10.0651 10.0651 11.9388 11.9388 13.3560 13.3560 14.0919 14.0919 17.6172 17.6172 k = 0.0737 0.0675 0.7313 ( 2264 PWs) bands (ev): -12.8237 -12.8237 -12.7881 -12.7881 -12.7779 -12.7779 -12.7674 -12.7674 -9.9049 -9.9049 -9.8851 -9.8851 -9.8089 -9.8089 -9.7764 -9.7764 -9.7457 -9.7457 -9.7148 -9.7148 0.7104 0.7104 2.5474 2.5474 7.1364 7.1364 8.4682 8.4682 10.0482 10.0482 11.7861 11.7861 13.4217 13.4217 14.1597 14.1597 17.5711 17.5711 k = 0.0842 0.0771 0.7313 ( 2262 PWs) bands (ev): -12.8238 -12.8238 -12.7889 -12.7889 -12.7775 -12.7775 -12.7671 -12.7671 -9.9054 -9.9054 -9.8843 -9.8843 -9.8083 -9.8083 -9.7793 -9.7793 -9.7445 -9.7445 -9.7143 -9.7143 0.7213 0.7213 2.5438 2.5438 7.0969 7.0969 8.5065 8.5065 10.0315 10.0315 11.6326 11.6326 13.4886 13.4886 14.2226 14.2226 17.5445 17.5445 k = 0.0948 0.0868 0.7313 ( 2260 PWs) bands (ev): -12.8239 -12.8239 -12.7897 -12.7897 -12.7771 -12.7771 -12.7667 -12.7667 -9.9058 -9.9058 -9.8835 -9.8835 -9.8077 -9.8077 -9.7822 -9.7822 -9.7434 -9.7434 -9.7137 -9.7137 0.7335 0.7335 2.5396 2.5396 7.0588 7.0588 8.5395 8.5395 10.0154 10.0154 11.4803 11.4803 13.5566 13.5566 14.2787 14.2787 17.5375 17.5375 k = 0.1053 0.0964 0.7313 ( 2254 PWs) bands (ev): -12.8240 -12.8240 -12.7905 -12.7905 -12.7767 -12.7767 -12.7663 -12.7663 -9.9061 -9.9061 -9.8828 -9.8828 -9.8071 -9.8071 -9.7850 -9.7850 -9.7424 -9.7424 -9.7132 -9.7132 0.7470 0.7470 2.5347 2.5347 7.0230 7.0230 8.5656 8.5656 9.9997 9.9997 11.3315 11.3315 13.6256 13.6256 14.3275 14.3275 17.5497 17.5497 k = 0.1158 0.1061 0.7313 ( 2254 PWs) bands (ev): -12.8241 -12.8241 -12.7913 -12.7913 -12.7764 -12.7764 -12.7658 -12.7658 -9.9064 -9.9064 -9.8820 -9.8820 -9.8066 -9.8066 -9.7878 -9.7878 -9.7414 -9.7414 -9.7128 -9.7128 0.7616 0.7616 2.5293 2.5293 6.9900 6.9900 8.5834 8.5834 9.9834 9.9834 11.1889 11.1889 13.6950 13.6950 14.3693 14.3693 17.5799 17.5799 k = 0.1264 0.1157 0.7313 ( 2250 PWs) bands (ev): -12.8242 -12.8242 -12.7921 -12.7921 -12.7760 -12.7760 -12.7654 -12.7654 -9.9066 -9.9066 -9.8813 -9.8813 -9.8062 -9.8062 -9.7904 -9.7904 -9.7406 -9.7406 -9.7124 -9.7124 0.7773 0.7773 2.5232 2.5232 6.9604 6.9604 8.5919 8.5919 9.9641 9.9641 11.0559 11.0559 13.7642 13.7642 14.4052 14.4052 17.6264 17.6264 k = 0.1369 0.1254 0.7313 ( 2250 PWs) bands (ev): -12.8243 -12.8243 -12.7928 -12.7928 -12.7757 -12.7757 -12.7649 -12.7649 -9.9067 -9.9067 -9.8806 -9.8806 -9.8061 -9.8061 -9.7928 -9.7928 -9.7397 -9.7397 -9.7121 -9.7121 0.7939 0.7939 2.5164 2.5164 6.9345 6.9345 8.5909 8.5909 9.9384 9.9384 10.9365 10.9365 13.8323 13.8323 14.4366 14.4366 17.6869 17.6869 k = 0.1474 0.1350 0.7313 ( 2252 PWs) bands (ev): -12.8244 -12.8244 -12.7936 -12.7936 -12.7755 -12.7755 -12.7644 -12.7644 -9.9067 -9.9067 -9.8799 -9.8799 -9.8064 -9.8064 -9.7946 -9.7946 -9.7389 -9.7389 -9.7119 -9.7119 0.8115 0.8115 2.5089 2.5089 6.9127 6.9127 8.5805 8.5805 9.9014 9.9014 10.8356 10.8356 13.8984 13.8984 14.4657 14.4657 17.7584 17.7584 k = 0.1579 0.1446 0.7313 ( 2250 PWs) bands (ev): -12.8245 -12.8245 -12.7944 -12.7944 -12.7752 -12.7752 -12.7639 -12.7639 -9.9066 -9.9066 -9.8793 -9.8793 -9.8072 -9.8072 -9.7959 -9.7959 -9.7381 -9.7381 -9.7118 -9.7118 0.8299 0.8299 2.5007 2.5007 6.8952 6.8952 8.5611 8.5611 9.8487 9.8487 10.7571 10.7571 13.9618 13.9618 14.4945 14.4945 17.8368 17.8368 k = 0.1685 0.1543 0.7313 ( 2248 PWs) bands (ev): -12.8246 -12.8246 -12.7951 -12.7951 -12.7750 -12.7750 -12.7635 -12.7635 -9.9064 -9.9064 -9.8786 -9.8786 -9.8086 -9.8086 -9.7966 -9.7966 -9.7374 -9.7374 -9.7118 -9.7118 0.8490 0.8490 2.4917 2.4917 6.8821 6.8821 8.5335 8.5335 9.7781 9.7781 10.7028 10.7028 14.0214 14.0214 14.5254 14.5254 17.9159 17.9159 k = 0.1790 0.1639 0.7313 ( 2252 PWs) bands (ev): -12.8247 -12.8247 -12.7959 -12.7959 -12.7748 -12.7748 -12.7630 -12.7630 -9.9061 -9.9061 -9.8780 -9.8780 -9.8105 -9.8105 -9.7967 -9.7967 -9.7368 -9.7368 -9.7119 -9.7119 0.8686 0.8686 2.4820 2.4820 6.8734 6.8734 8.4987 8.4987 9.6907 9.6907 10.6706 10.6706 14.0764 14.0764 14.5604 14.5604 17.9877 17.9877 k = 0.1895 0.1736 0.7313 ( 2250 PWs) bands (ev): -12.8248 -12.8248 -12.7966 -12.7966 -12.7746 -12.7746 -12.7625 -12.7625 -9.9057 -9.9057 -9.8775 -9.8775 -9.8127 -9.8127 -9.7966 -9.7966 -9.7362 -9.7362 -9.7121 -9.7121 0.8888 0.8888 2.4714 2.4714 6.8694 6.8694 8.4575 8.4575 9.5903 9.5903 10.6560 10.6560 14.1260 14.1260 14.6015 14.6015 18.0491 18.0491 k = 0.2001 0.1832 0.7313 ( 2247 PWs) bands (ev): -12.8249 -12.8249 -12.7973 -12.7973 -12.7745 -12.7745 -12.7621 -12.7621 -9.9052 -9.9052 -9.8769 -9.8769 -9.8149 -9.8149 -9.7963 -9.7963 -9.7357 -9.7357 -9.7124 -9.7124 0.9092 0.9092 2.4600 2.4600 6.8698 6.8698 8.4108 8.4108 9.4817 9.4817 10.6537 10.6537 14.1698 14.1698 14.6501 14.6501 18.1070 18.1070 k = 0.2106 0.1929 0.7313 ( 2243 PWs) bands (ev): -12.8249 -12.8249 -12.7980 -12.7980 -12.7743 -12.7743 -12.7617 -12.7617 -9.9047 -9.9047 -9.8763 -9.8763 -9.8172 -9.8172 -9.7960 -9.7960 -9.7354 -9.7354 -9.7127 -9.7127 0.9299 0.9299 2.4477 2.4477 6.8746 6.8746 8.3594 8.3594 9.3694 9.3694 10.6588 10.6588 14.2077 14.2077 14.7071 14.7071 18.1689 18.1689 k = 0.2211 0.2025 0.7313 ( 2236 PWs) bands (ev): -12.8250 -12.8250 -12.7986 -12.7986 -12.7742 -12.7742 -12.7613 -12.7613 -9.9041 -9.9041 -9.8757 -9.8757 -9.8194 -9.8194 -9.7956 -9.7956 -9.7351 -9.7351 -9.7131 -9.7131 0.9507 0.9507 2.4345 2.4345 6.8837 6.8837 8.3040 8.3040 9.2567 9.2567 10.6677 10.6677 14.2398 14.2398 14.7731 14.7731 18.2381 18.2381 k = 0.2316 0.2121 0.7313 ( 2236 PWs) bands (ev): -12.8250 -12.8250 -12.7993 -12.7993 -12.7741 -12.7741 -12.7609 -12.7609 -9.9034 -9.9034 -9.8750 -9.8750 -9.8215 -9.8215 -9.7953 -9.7953 -9.7350 -9.7350 -9.7135 -9.7135 0.9715 0.9715 2.4204 2.4204 6.8969 6.8969 8.2453 8.2453 9.1464 9.1464 10.6778 10.6778 14.2665 14.2665 14.8481 14.8481 18.3159 18.3159 k = 0.2422 0.2218 0.7313 ( 2236 PWs) bands (ev): -12.8250 -12.8250 -12.7999 -12.7999 -12.7740 -12.7740 -12.7606 -12.7606 -9.9026 -9.9026 -9.8744 -9.8744 -9.8236 -9.8236 -9.7950 -9.7950 -9.7351 -9.7351 -9.7139 -9.7139 0.9921 0.9921 2.4052 2.4052 6.9138 6.9138 8.1839 8.1839 9.0406 9.0406 10.6873 10.6873 14.2883 14.2883 14.9320 14.9320 18.4024 18.4024 k = 0.2527 0.2314 0.7313 ( 2234 PWs) bands (ev): -12.8250 -12.8250 -12.8004 -12.8004 -12.7740 -12.7740 -12.7602 -12.7602 -9.9019 -9.9019 -9.8736 -9.8736 -9.8255 -9.8255 -9.7948 -9.7948 -9.7355 -9.7355 -9.7143 -9.7143 1.0124 1.0124 2.3888 2.3888 6.9341 6.9341 8.1206 8.1206 8.9408 8.9408 10.6950 10.6950 14.3056 14.3056 15.0243 15.0243 18.4966 18.4966 k = 0.2632 0.2411 0.7313 ( 2232 PWs) bands (ev): -12.8250 -12.8250 -12.8010 -12.8010 -12.7739 -12.7739 -12.7600 -12.7600 -9.9011 -9.9011 -9.8728 -9.8728 -9.8274 -9.8274 -9.7946 -9.7946 -9.7360 -9.7360 -9.7147 -9.7147 1.0323 1.0323 2.3712 2.3712 6.9573 6.9573 8.0564 8.0564 8.8481 8.8481 10.7003 10.7003 14.3189 14.3189 15.1245 15.1245 18.5959 18.5959 k = 0.2738 0.2507 0.7313 ( 2234 PWs) bands (ev): -12.8250 -12.8250 -12.8015 -12.8015 -12.7739 -12.7739 -12.7597 -12.7597 -9.9003 -9.9003 -9.8719 -9.8719 -9.8291 -9.8291 -9.7946 -9.7946 -9.7368 -9.7368 -9.7150 -9.7150 1.0516 1.0516 2.3523 2.3523 6.9828 6.9828 7.9922 7.9922 8.7632 8.7632 10.7028 10.7028 14.3284 14.3284 15.2318 15.2318 18.6929 18.6929 k = 0.2843 0.2604 0.7313 ( 2239 PWs) bands (ev): -12.8250 -12.8250 -12.8019 -12.8019 -12.7738 -12.7738 -12.7595 -12.7595 -9.8995 -9.8995 -9.8709 -9.8709 -9.8307 -9.8307 -9.7946 -9.7946 -9.7378 -9.7378 -9.7153 -9.7153 1.0704 1.0704 2.3319 2.3319 7.0099 7.0099 7.9294 7.9294 8.6867 8.6867 10.7024 10.7024 14.3347 14.3347 15.3452 15.3452 18.7675 18.7675 k = 0.2948 0.2700 0.7313 ( 2242 PWs) bands (ev): -12.8249 -12.8249 -12.8024 -12.8024 -12.7738 -12.7738 -12.7594 -12.7594 -9.8987 -9.8987 -9.8698 -9.8698 -9.8321 -9.8321 -9.7947 -9.7947 -9.7389 -9.7389 -9.7156 -9.7156 1.0884 1.0884 2.3098 2.3098 7.0374 7.0374 7.8697 7.8697 8.6189 8.6189 10.6994 10.6994 14.3379 14.3379 15.4633 15.4633 18.8012 18.8012 k = 0.3054 0.2796 0.7313 ( 2245 PWs) bands (ev): -12.8248 -12.8248 -12.8028 -12.8028 -12.7739 -12.7739 -12.7593 -12.7593 -9.8979 -9.8979 -9.8686 -9.8686 -9.8334 -9.8334 -9.7948 -9.7948 -9.7403 -9.7403 -9.7158 -9.7158 1.1055 1.1055 2.2860 2.2860 7.0643 7.0643 7.8147 7.8147 8.5601 8.5601 10.6938 10.6938 14.3386 14.3386 15.5847 15.5847 18.8040 18.8040 k = 0.3159 0.2893 0.7313 ( 2248 PWs) bands (ev): -12.8248 -12.8248 -12.8031 -12.8031 -12.7739 -12.7739 -12.7592 -12.7592 -9.8971 -9.8971 -9.8672 -9.8672 -9.8346 -9.8346 -9.7951 -9.7951 -9.7419 -9.7419 -9.7161 -9.7161 1.1217 1.1217 2.2602 2.2602 7.0891 7.0891 7.7663 7.7663 8.5105 8.5105 10.6862 10.6862 14.3371 14.3371 15.7070 15.7070 18.7881 18.7881 k = 0.3264 0.2989 0.7313 ( 2250 PWs) bands (ev): -12.8247 -12.8247 -12.8034 -12.8034 -12.7739 -12.7739 -12.7592 -12.7592 -9.8963 -9.8963 -9.8658 -9.8658 -9.8356 -9.8356 -9.7955 -9.7955 -9.7435 -9.7435 -9.7164 -9.7164 1.1369 1.1369 2.2323 2.2323 7.1104 7.1104 7.7262 7.7262 8.4703 8.4703 10.6767 10.6767 14.3338 14.3338 15.8280 15.8280 18.7607 18.7607 k = 0.3369 0.3086 0.7313 ( 2250 PWs) bands (ev): -12.8246 -12.8246 -12.8037 -12.8037 -12.7740 -12.7740 -12.7592 -12.7592 -9.8956 -9.8956 -9.8644 -9.8644 -9.8365 -9.8365 -9.7960 -9.7960 -9.7452 -9.7452 -9.7168 -9.7168 1.1510 1.1510 2.2023 2.2023 7.1270 7.1270 7.6957 7.6957 8.4402 8.4402 10.6659 10.6659 14.3289 14.3289 15.9443 15.9443 18.7272 18.7272 k = 0.3475 0.3182 0.7313 ( 2244 PWs) bands (ev): -12.8245 -12.8245 -12.8040 -12.8040 -12.7740 -12.7740 -12.7593 -12.7593 -9.8948 -9.8948 -9.8629 -9.8629 -9.8372 -9.8372 -9.7966 -9.7966 -9.7470 -9.7470 -9.7172 -9.7172 1.1638 1.1638 2.1700 2.1700 7.1382 7.1382 7.6751 7.6751 8.4207 8.4207 10.6541 10.6541 14.3228 14.3228 16.0522 16.0522 18.6932 18.6932 k = 0.3580 0.3279 0.7313 ( 2244 PWs) bands (ev): -12.8243 -12.8243 -12.8042 -12.8042 -12.7741 -12.7741 -12.7595 -12.7595 -9.8941 -9.8941 -9.8614 -9.8614 -9.8377 -9.8377 -9.7974 -9.7974 -9.7487 -9.7487 -9.7178 -9.7178 1.1752 1.1752 2.1354 2.1354 7.1445 7.1445 7.6636 7.6636 8.4126 8.4126 10.6418 10.6418 14.3159 14.3159 16.1472 16.1472 18.6647 18.6647 k = 0.3685 0.3375 0.7313 ( 2248 PWs) bands (ev): -12.8242 -12.8242 -12.8043 -12.8043 -12.7741 -12.7741 -12.7596 -12.7596 -9.8933 -9.8933 -9.8600 -9.8600 -9.8379 -9.8379 -9.7983 -9.7983 -9.7504 -9.7504 -9.7184 -9.7184 1.1850 1.1850 2.0987 2.0987 7.1474 7.1474 7.6594 7.6594 8.4165 8.4165 10.6293 10.6293 14.3083 14.3083 16.2246 16.2246 18.6475 18.6475 k = 0.5000 0.4579-0.2523 ( 2270 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7730 -12.7730 -12.7679 -12.7679 -9.9183 -9.9183 -9.9173 -9.9173 -9.8063 -9.8063 -9.7971 -9.7971 -9.7798 -9.7798 -9.7590 -9.7590 0.2805 0.2805 0.4861 0.4861 6.0126 6.0126 6.0202 6.0202 14.3276 14.3276 14.9864 14.9864 17.5322 17.5322 17.7701 17.7701 20.6931 20.6931 k = 0.5056 0.4517-0.2523 ( 2264 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7731 -12.7731 -12.7679 -12.7679 -9.9185 -9.9185 -9.9171 -9.9171 -9.8064 -9.8064 -9.7970 -9.7970 -9.7798 -9.7798 -9.7590 -9.7590 0.2810 0.2810 0.4847 0.4847 6.0130 6.0130 6.0229 6.0229 14.3277 14.3277 14.9858 14.9858 17.5310 17.5310 17.7654 17.7654 20.6899 20.6899 k = 0.5113 0.4456-0.2523 ( 2264 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7731 -12.7731 -12.7679 -12.7679 -9.9188 -9.9188 -9.9167 -9.9167 -9.8068 -9.8068 -9.7968 -9.7968 -9.7797 -9.7797 -9.7589 -9.7589 0.2824 0.2824 0.4804 0.4804 6.0143 6.0143 6.0307 6.0307 14.3281 14.3281 14.9839 14.9839 17.5274 17.5274 17.7512 17.7512 20.6803 20.6803 k = 0.4887-0.5336 0.0000 ( 2264 PWs) bands (ev): -12.8460 -12.8460 -12.8376 -12.8376 -12.7731 -12.7731 -12.7679 -12.7679 -9.9188 -9.9188 -9.9167 -9.9167 -9.8068 -9.8068 -9.7968 -9.7968 -9.7797 -9.7797 -9.7589 -9.7589 0.2824 0.2824 0.4804 0.4804 6.0143 6.0143 6.0307 6.0307 14.3281 14.3281 14.9839 14.9839 17.5274 17.5274 17.7512 17.7512 20.6803 20.6803 k = 0.4791-0.5232 0.0000 ( 2264 PWs) bands (ev): -12.8459 -12.8459 -12.8376 -12.8376 -12.7734 -12.7734 -12.7678 -12.7678 -9.9195 -9.9195 -9.9159 -9.9159 -9.8080 -9.8080 -9.7960 -9.7960 -9.7795 -9.7795 -9.7588 -9.7588 0.2868 0.2868 0.4666 0.4666 6.0188 6.0188 6.0553 6.0553 14.3294 14.3294 14.9778 14.9778 17.5151 17.5151 17.7070 17.7070 20.6508 20.6508 k = 0.4695-0.5127 0.0000 ( 2260 PWs) bands (ev): -12.8458 -12.8458 -12.8375 -12.8375 -12.7738 -12.7738 -12.7677 -12.7677 -9.9203 -9.9203 -9.9150 -9.9150 -9.8095 -9.8095 -9.7950 -9.7950 -9.7791 -9.7791 -9.7586 -9.7586 0.2940 0.2940 0.4449 0.4449 6.0262 6.0262 6.0941 6.0941 14.3314 14.3314 14.9677 14.9677 17.4923 17.4923 17.6423 17.6423 20.6071 20.6071 k = 0.4600-0.5023 0.0000 ( 2262 PWs) bands (ev): -12.8456 -12.8456 -12.8375 -12.8375 -12.7743 -12.7743 -12.7675 -12.7675 -9.9210 -9.9210 -9.9142 -9.9142 -9.8114 -9.8114 -9.7940 -9.7940 -9.7786 -9.7786 -9.7583 -9.7583 0.3038 0.3038 0.4157 0.4157 6.0365 6.0365 6.1468 6.1468 14.3339 14.3339 14.9532 14.9532 17.4494 17.4494 17.5704 17.5704 20.5524 20.5524 k = 0.4504-0.4918 0.0000 ( 2260 PWs) bands (ev): -12.8453 -12.8453 -12.8374 -12.8374 -12.7749 -12.7749 -12.7673 -12.7673 -9.9216 -9.9216 -9.9133 -9.9133 -9.8135 -9.8135 -9.7929 -9.7929 -9.7780 -9.7780 -9.7579 -9.7579 0.3163 0.3163 0.3793 0.3793 6.0495 6.0495 6.2129 6.2129 14.3369 14.3369 14.9338 14.9338 17.3685 17.3685 17.5131 17.5131 20.4894 20.4894 k = 0.4408-0.4813 0.0000 ( 2258 PWs) bands (ev): -12.8450 -12.8450 -12.8373 -12.8373 -12.7756 -12.7756 -12.7671 -12.7671 -9.9223 -9.9223 -9.9124 -9.9124 -9.8158 -9.8158 -9.7918 -9.7918 -9.7772 -9.7772 -9.7575 -9.7575 0.3309 0.3309 0.3370 0.3370 6.0653 6.0653 6.2919 6.2919 14.3401 14.3401 14.9088 14.9088 17.2533 17.2533 17.4716 17.4716 20.4204 20.4204 k = 0.4312-0.4709 0.0000 ( 2256 PWs) bands (ev): -12.8447 -12.8447 -12.8371 -12.8371 -12.7764 -12.7764 -12.7669 -12.7669 -9.9229 -9.9229 -9.9116 -9.9116 -9.8182 -9.8182 -9.7907 -9.7907 -9.7764 -9.7764 -9.7570 -9.7570 0.2875 0.2875 0.3493 0.3493 6.0838 6.0838 6.3831 6.3831 14.3430 14.3430 14.8774 14.8774 17.1201 17.1201 17.4341 17.4341 20.3465 20.3465 k = 0.4216-0.4604 0.0000 ( 2258 PWs) bands (ev): -12.8444 -12.8444 -12.8369 -12.8369 -12.7773 -12.7773 -12.7667 -12.7667 -9.9234 -9.9234 -9.9107 -9.9107 -9.8208 -9.8208 -9.7896 -9.7896 -9.7756 -9.7756 -9.7564 -9.7564 0.2334 0.2334 0.3697 0.3697 6.1051 6.1051 6.4858 6.4858 14.3449 14.3449 14.8387 14.8387 16.9784 16.9784 17.3960 17.3960 20.2688 20.2688 k = 0.4121-0.4499 0.0000 ( 2254 PWs) bands (ev): -12.8440 -12.8440 -12.8367 -12.8367 -12.7783 -12.7783 -12.7665 -12.7665 -9.9239 -9.9239 -9.9098 -9.9098 -9.8235 -9.8235 -9.7885 -9.7885 -9.7747 -9.7747 -9.7558 -9.7558 0.1746 0.1746 0.3928 0.3928 6.1290 6.1290 6.5994 6.5994 14.3447 14.3447 14.7922 14.7922 16.8344 16.8344 17.3561 17.3561 20.1872 20.1872 k = 0.4025-0.4395 0.0000 ( 2248 PWs) bands (ev): -12.8436 -12.8436 -12.8365 -12.8365 -12.7794 -12.7794 -12.7663 -12.7663 -9.9244 -9.9244 -9.9090 -9.9090 -9.8263 -9.8263 -9.7874 -9.7874 -9.7738 -9.7738 -9.7550 -9.7550 0.1118 0.1118 0.4186 0.4186 6.1555 6.1555 6.7232 6.7232 14.3401 14.3401 14.7382 14.7382 16.6928 16.6928 17.3141 17.3141 20.1016 20.1016 k = 0.3929-0.4290 0.0000 ( 2250 PWs) bands (ev): -12.8432 -12.8432 -12.8362 -12.8362 -12.7805 -12.7805 -12.7661 -12.7661 -9.9248 -9.9248 -9.9081 -9.9081 -9.8292 -9.8292 -9.7864 -9.7864 -9.7729 -9.7729 -9.7541 -9.7541 0.0457 0.0457 0.4469 0.4469 6.1846 6.1846 6.8565 6.8565 14.3266 14.3266 14.6793 14.6793 16.5577 16.5577 17.2702 17.2702 20.0108 20.0108 k = 0.3833-0.4185 0.0000 ( 2248 PWs) bands (ev): -12.8428 -12.8428 -12.8359 -12.8359 -12.7817 -12.7817 -12.7658 -12.7658 -9.9252 -9.9252 -9.9073 -9.9073 -9.8322 -9.8322 -9.7854 -9.7854 -9.7720 -9.7720 -9.7530 -9.7530 -0.0233 -0.0233 0.4779 0.4779 6.2163 6.2163 6.9987 6.9987 14.2958 14.2958 14.6221 14.6221 16.4324 16.4324 17.2248 17.2248 19.9128 19.9128 k = 0.3737-0.4081 0.0000 ( 2250 PWs) bands (ev): -12.8424 -12.8424 -12.8355 -12.8355 -12.7830 -12.7830 -12.7656 -12.7656 -9.9255 -9.9255 -9.9065 -9.9065 -9.8353 -9.8353 -9.7844 -9.7844 -9.7712 -9.7712 -9.7518 -9.7518 -0.0944 -0.0944 0.5114 0.5114 6.2505 6.2505 7.1492 7.1492 14.2366 14.2366 14.5770 14.5770 16.3194 16.3194 17.1782 17.1782 19.8045 19.8045 k = 0.3641-0.3976 0.0000 ( 2248 PWs) bands (ev): -12.8420 -12.8420 -12.8351 -12.8351 -12.7844 -12.7844 -12.7653 -12.7653 -9.9258 -9.9258 -9.9057 -9.9057 -9.8384 -9.8384 -9.7836 -9.7836 -9.7704 -9.7704 -9.7505 -9.7505 -0.1673 -0.1673 0.5476 0.5476 6.2871 6.2871 7.3073 7.3073 14.1424 14.1424 14.5500 14.5500 16.2200 16.2200 17.1308 17.1308 19.6820 19.6820 k = 0.3546-0.3872 0.0000 ( 2248 PWs) bands (ev): -12.8416 -12.8416 -12.8346 -12.8346 -12.7858 -12.7858 -12.7650 -12.7650 -9.9261 -9.9261 -9.9050 -9.9050 -9.8415 -9.8415 -9.7828 -9.7828 -9.7697 -9.7697 -9.7489 -9.7489 -0.2414 -0.2414 0.5863 0.5863 6.3261 6.3261 7.4726 7.4726 14.0168 14.0168 14.5385 14.5385 16.1343 16.1343 17.0830 17.0830 19.5421 19.5421 k = 0.3450-0.3767 0.0000 ( 2248 PWs) bands (ev): -12.8413 -12.8413 -12.8341 -12.8341 -12.7872 -12.7872 -12.7647 -12.7647 -9.9263 -9.9263 -9.9042 -9.9042 -9.8447 -9.8447 -9.7823 -9.7823 -9.7689 -9.7689 -9.7471 -9.7471 -0.3164 -0.3164 0.6275 0.6275 6.3673 6.3673 7.6445 7.6445 13.8671 13.8671 14.5367 14.5367 16.0618 16.0618 17.0352 17.0352 19.3841 19.3841 k = 0.3354-0.3662 0.0000 ( 2244 PWs) bands (ev): -12.8410 -12.8410 -12.8335 -12.8335 -12.7887 -12.7887 -12.7644 -12.7644 -9.9264 -9.9264 -9.9035 -9.9035 -9.8479 -9.8479 -9.7819 -9.7819 -9.7682 -9.7682 -9.7451 -9.7451 -0.3917 -0.3917 0.6712 0.6712 6.4108 6.4108 7.8225 7.8225 13.6991 13.6991 14.5405 14.5405 16.0009 16.0009 16.9879 16.9879 19.2102 19.2102 k = 0.3258-0.3558 0.0000 ( 2250 PWs) bands (ev): -12.8407 -12.8407 -12.8329 -12.8329 -12.7903 -12.7903 -12.7641 -12.7641 -9.9266 -9.9266 -9.9028 -9.9028 -9.8512 -9.8512 -9.7818 -9.7818 -9.7674 -9.7674 -9.7430 -9.7430 -0.4671 -0.4671 0.7175 0.7175 6.4564 6.4564 8.0062 8.0062 13.5175 13.5175 14.5475 14.5475 15.9501 15.9501 16.9414 16.9414 19.0246 19.0246 k = 0.3162-0.3453 0.0000 ( 2250 PWs) bands (ev): -12.8404 -12.8404 -12.8323 -12.8323 -12.7919 -12.7919 -12.7638 -12.7638 -9.9266 -9.9266 -9.9021 -9.9021 -9.8544 -9.8544 -9.7819 -9.7819 -9.7665 -9.7665 -9.7407 -9.7407 -0.5423 -0.5423 0.7661 0.7661 6.5041 6.5041 8.1952 8.1952 13.3256 13.3256 14.5566 14.5566 15.9077 15.9077 16.8961 16.8961 18.8314 18.8314 k = 0.3066-0.3348 0.0000 ( 2250 PWs) bands (ev): -12.8402 -12.8402 -12.8316 -12.8316 -12.7935 -12.7935 -12.7634 -12.7634 -9.9267 -9.9267 -9.9014 -9.9014 -9.8576 -9.8576 -9.7823 -9.7823 -9.7655 -9.7655 -9.7382 -9.7382 -0.6169 -0.6169 0.8171 0.8171 6.5537 6.5537 8.3889 8.3889 13.1260 13.1260 14.5668 14.5668 15.8721 15.8721 16.8524 16.8524 18.6339 18.6339 k = 0.2971-0.3244 0.0000 ( 2252 PWs) bands (ev): -12.8400 -12.8400 -12.8310 -12.8310 -12.7952 -12.7952 -12.7631 -12.7631 -9.9267 -9.9267 -9.9008 -9.9008 -9.8608 -9.8608 -9.7829 -9.7829 -9.7645 -9.7645 -9.7356 -9.7356 -0.6907 -0.6907 0.8705 0.8705 6.6051 6.6051 8.5871 8.5871 12.9211 12.9211 14.5778 14.5778 15.8420 15.8420 16.8105 16.8105 18.4343 18.4343 k = 0.2875-0.3139 0.0000 ( 2246 PWs) bands (ev): -12.8398 -12.8398 -12.8303 -12.8303 -12.7969 -12.7969 -12.7627 -12.7627 -9.9267 -9.9267 -9.9001 -9.9001 -9.8640 -9.8640 -9.7838 -9.7838 -9.7634 -9.7634 -9.7329 -9.7329 -0.7635 -0.7635 0.9262 0.9262 6.6581 6.6581 8.7893 8.7893 12.7125 12.7125 14.5893 14.5893 15.8161 15.8161 16.7709 16.7709 18.2343 18.2343 k = 0.2779-0.3034 0.0000 ( 2238 PWs) bands (ev): -12.8396 -12.8396 -12.8296 -12.8296 -12.7986 -12.7986 -12.7622 -12.7622 -9.9266 -9.9266 -9.8996 -9.8996 -9.8671 -9.8671 -9.7849 -9.7849 -9.7623 -9.7623 -9.7301 -9.7301 -0.8351 -0.8351 0.9841 0.9841 6.7127 6.7127 8.9951 8.9951 12.5017 12.5017 14.6009 14.6009 15.7934 15.7934 16.7337 16.7337 18.0352 18.0352 k = 0.2683-0.2930 0.0000 ( 2236 PWs) bands (ev): -12.8394 -12.8394 -12.8289 -12.8289 -12.8003 -12.8003 -12.7618 -12.7618 -9.9265 -9.9265 -9.8990 -9.8990 -9.8701 -9.8701 -9.7862 -9.7862 -9.7611 -9.7611 -9.7272 -9.7272 -0.9052 -0.9052 1.0442 1.0442 6.7687 6.7687 9.2042 9.2042 12.2899 12.2899 14.6127 14.6127 15.7732 15.7732 16.6992 16.6992 17.8379 17.8379 k = 0.2587-0.2825 0.0000 ( 2240 PWs) bands (ev): -12.8393 -12.8393 -12.8282 -12.8282 -12.8019 -12.8019 -12.7614 -12.7614 -9.9264 -9.9264 -9.8986 -9.8986 -9.8730 -9.8730 -9.7876 -9.7876 -9.7599 -9.7599 -9.7243 -9.7243 -0.9738 -0.9738 1.1063 1.1063 6.8258 6.8258 9.4160 9.4160 12.0783 12.0783 14.6246 14.6246 15.7546 15.7546 16.6676 16.6676 17.6431 17.6431 k = 0.2491-0.2721 0.0000 ( 2232 PWs) bands (ev): -12.8392 -12.8392 -12.8276 -12.8276 -12.8036 -12.8036 -12.7609 -12.7609 -9.9262 -9.9262 -9.8982 -9.8982 -9.8758 -9.8758 -9.7892 -9.7892 -9.7587 -9.7587 -9.7213 -9.7213 -1.0406 -1.0406 1.1705 1.1705 6.8840 6.8840 9.6302 9.6302 11.8677 11.8677 14.6366 14.6366 15.7371 15.7371 16.6391 16.6391 17.4516 17.4516 k = 0.2396-0.2616 0.0000 ( 2236 PWs) bands (ev): -12.8391 -12.8391 -12.8270 -12.8270 -12.8052 -12.8052 -12.7604 -12.7604 -9.9260 -9.9260 -9.8979 -9.8979 -9.8784 -9.8784 -9.7909 -9.7909 -9.7576 -9.7576 -9.7182 -9.7182 -1.1056 -1.1056 1.2365 1.2365 6.9428 6.9428 9.8463 9.8463 11.6589 11.6589 14.6488 14.6488 15.7199 15.7199 16.6137 16.6137 17.2639 17.2639 k = 0.2300-0.2511 0.0000 ( 2237 PWs) bands (ev): -12.8390 -12.8390 -12.8265 -12.8265 -12.8068 -12.8068 -12.7599 -12.7599 -9.9258 -9.9258 -9.8978 -9.8978 -9.8808 -9.8808 -9.7928 -9.7928 -9.7564 -9.7564 -9.7152 -9.7152 -1.1687 -1.1687 1.3042 1.3042 7.0022 7.0022 10.0637 10.0637 11.4527 11.4527 14.6615 14.6615 15.7025 15.7025 16.5915 16.5915 17.0808 17.0808 k = 0.2204-0.2407 0.0000 ( 2235 PWs) bands (ev): -12.8390 -12.8390 -12.8260 -12.8260 -12.8083 -12.8083 -12.7594 -12.7594 -9.9255 -9.9255 -9.8980 -9.8980 -9.8828 -9.8828 -9.7947 -9.7947 -9.7552 -9.7552 -9.7121 -9.7121 -1.2297 -1.2297 1.3736 1.3736 7.0617 7.0617 10.2818 10.2818 11.2498 11.2498 14.6748 14.6748 15.6842 15.6842 16.5724 16.5724 16.9031 16.9031 k = 0.2108-0.2302 0.0000 ( 2233 PWs) bands (ev): -12.8389 -12.8389 -12.8256 -12.8256 -12.8097 -12.8097 -12.7589 -12.7589 -9.9252 -9.9252 -9.8985 -9.8985 -9.8845 -9.8845 -9.7968 -9.7968 -9.7541 -9.7541 -9.7091 -9.7091 -1.2885 -1.2885 1.4444 1.4444 7.1211 7.1211 10.4999 10.4999 11.0511 11.0511 14.6893 14.6893 15.6641 15.6641 16.5562 16.5562 16.7322 16.7322 k = 0.2012-0.2197 0.0000 ( 2233 PWs) bands (ev): -12.8389 -12.8389 -12.8252 -12.8252 -12.8111 -12.8111 -12.7584 -12.7584 -9.9249 -9.9249 -9.8994 -9.8994 -9.8856 -9.8856 -9.7989 -9.7989 -9.7530 -9.7530 -9.7061 -9.7061 -1.3451 -1.3451 1.5165 1.5165 7.1800 7.1800 10.7148 10.7148 10.8596 10.8596 14.7052 14.7052 15.6409 15.6409 16.5371 16.5371 16.5749 16.5749 k = 0.1917-0.2093 0.0000 ( 2231 PWs) bands (ev): -12.8389 -12.8389 -12.8250 -12.8250 -12.8122 -12.8122 -12.7578 -12.7578 -9.9245 -9.9245 -9.9006 -9.9006 -9.8863 -9.8863 -9.8010 -9.8010 -9.7519 -9.7519 -9.7031 -9.7031 -1.3994 -1.3994 1.5897 1.5897 7.2379 7.2379 10.6639 10.6639 10.9378 10.9378 14.7234 14.7234 15.6129 15.6129 16.4109 16.4109 16.5375 16.5375 k = 0.1821-0.1988 0.0000 ( 2235 PWs) bands (ev): -12.8390 -12.8390 -12.8249 -12.8249 -12.8133 -12.8133 -12.7573 -12.7573 -9.9242 -9.9242 -9.9022 -9.9022 -9.8867 -9.8867 -9.8032 -9.8032 -9.7509 -9.7509 -9.7002 -9.7002 -1.4513 -1.4513 1.6637 1.6637 7.2943 7.2943 10.4819 10.4819 11.1509 11.1509 14.7444 14.7444 15.5776 15.5776 16.2702 16.2702 16.5299 16.5299 k = 0.1725-0.1883 0.0000 ( 2231 PWs) bands (ev): -12.8390 -12.8390 -12.8250 -12.8250 -12.8141 -12.8141 -12.7567 -12.7567 -9.9238 -9.9238 -9.9039 -9.9039 -9.8867 -9.8867 -9.8055 -9.8055 -9.7499 -9.7499 -9.6974 -9.6974 -1.5009 -1.5009 1.7384 1.7384 7.3487 7.3487 10.3056 10.3056 11.3615 11.3615 14.7691 14.7691 15.5318 15.5318 16.1449 16.1449 16.5257 16.5257 k = 0.1629-0.1779 0.0000 ( 2237 PWs) bands (ev): -12.8391 -12.8391 -12.8252 -12.8252 -12.8148 -12.8148 -12.7562 -12.7562 -9.9234 -9.9234 -9.9057 -9.9057 -9.8866 -9.8866 -9.8077 -9.8077 -9.7489 -9.7489 -9.6947 -9.6947 -1.5479 -1.5479 1.8134 1.8134 7.4004 7.4004 10.1368 10.1368 11.5676 11.5676 14.7986 14.7986 15.4717 15.4717 16.0394 16.0394 16.5241 16.5241 k = 0.1533-0.1674 0.0000 ( 2239 PWs) bands (ev): -12.8393 -12.8393 -12.8255 -12.8255 -12.8153 -12.8153 -12.7557 -12.7557 -9.9230 -9.9230 -9.9076 -9.9076 -9.8863 -9.8863 -9.8099 -9.8099 -9.7480 -9.7480 -9.6920 -9.6920 -1.5924 -1.5924 1.8884 1.8884 7.4486 7.4486 9.9764 9.9764 11.7677 11.7677 14.8338 14.8338 15.3956 15.3956 15.9563 15.9563 16.5249 16.5249 k = 0.1437-0.1570 0.0000 ( 2239 PWs) bands (ev): -12.8394 -12.8394 -12.8260 -12.8260 -12.8156 -12.8156 -12.7551 -12.7551 -9.9226 -9.9226 -9.9093 -9.9093 -9.8860 -9.8860 -9.8121 -9.8121 -9.7472 -9.7472 -9.6894 -9.6894 -1.6344 -1.6344 1.9630 1.9630 7.4925 7.4925 9.8255 9.8255 11.9600 11.9600 14.8758 14.8758 15.3051 15.3051 15.8943 15.8943 16.5278 16.5278 k = 0.1342-0.1465 0.0000 ( 2239 PWs) bands (ev): -12.8397 -12.8397 -12.8265 -12.8265 -12.8158 -12.8158 -12.7546 -12.7546 -9.9223 -9.9223 -9.9110 -9.9110 -9.8856 -9.8856 -9.8143 -9.8143 -9.7464 -9.7464 -9.6870 -9.6870 -1.6738 -1.6738 2.0370 2.0370 7.5312 7.5312 9.6852 9.6852 12.1428 12.1428 14.9252 14.9252 15.2055 15.2055 15.8494 15.8494 16.5327 16.5327 k = 0.1246-0.1360 0.0000 ( 2239 PWs) bands (ev): -12.8399 -12.8399 -12.8270 -12.8270 -12.8158 -12.8158 -12.7541 -12.7541 -9.9220 -9.9220 -9.9125 -9.9125 -9.8853 -9.8853 -9.8164 -9.8164 -9.7456 -9.7456 -9.6847 -9.6847 -1.7106 -1.7106 2.1097 2.1097 7.5637 7.5637 9.5566 9.5566 12.3143 12.3143 14.9790 14.9790 15.1059 15.1059 15.8172 15.8172 16.5394 16.5394 k = 0.1150-0.1256 0.0000 ( 2237 PWs) bands (ev): -12.8402 -12.8402 -12.8276 -12.8276 -12.8158 -12.8158 -12.7537 -12.7537 -9.9218 -9.9218 -9.9138 -9.9138 -9.8849 -9.8849 -9.8185 -9.8185 -9.7450 -9.7450 -9.6825 -9.6825 -1.7447 -1.7447 2.1808 2.1808 7.5892 7.5892 9.4408 9.4408 12.4728 12.4728 14.9720 14.9720 15.0765 15.0765 15.7941 15.7941 16.5478 16.5478 k = 0.1054-0.1151 0.0000 ( 2241 PWs) bands (ev): -12.8405 -12.8405 -12.8281 -12.8281 -12.8158 -12.8158 -12.7532 -12.7532 -9.9218 -9.9218 -9.9148 -9.9148 -9.8846 -9.8846 -9.8204 -9.8204 -9.7443 -9.7443 -9.6805 -9.6805 -1.7762 -1.7762 2.2497 2.2497 7.6069 7.6069 9.3387 9.3387 12.6168 12.6168 14.8772 14.8772 15.1476 15.1476 15.7780 15.7780 16.5580 16.5580 k = 0.0958-0.1046 0.0000 ( 2241 PWs) bands (ev): -12.8409 -12.8409 -12.8285 -12.8285 -12.8157 -12.8157 -12.7528 -12.7528 -9.9220 -9.9220 -9.9154 -9.9154 -9.8842 -9.8842 -9.8223 -9.8223 -9.7437 -9.7437 -9.6786 -9.6786 -1.8050 -1.8050 2.3158 2.3158 7.6162 7.6162 9.2510 9.2510 12.7451 12.7451 14.7789 14.7789 15.2357 15.2357 15.7679 15.7679 16.5700 16.5700 k = 0.0862-0.0942 0.0000 ( 2239 PWs) bands (ev): -12.8412 -12.8412 -12.8289 -12.8289 -12.8156 -12.8156 -12.7524 -12.7524 -9.9224 -9.9224 -9.9158 -9.9158 -9.8839 -9.8839 -9.8240 -9.8240 -9.7432 -9.7432 -9.6768 -9.6768 -1.8311 -1.8311 2.3785 2.3785 7.6173 7.6173 9.1779 9.1779 12.8572 12.8572 14.6855 14.6855 15.3314 15.3314 15.7645 15.7645 16.5842 16.5842 k = 0.0767-0.0837 0.0000 ( 2239 PWs) bands (ev): -12.8416 -12.8416 -12.8293 -12.8293 -12.8155 -12.8155 -12.7521 -12.7521 -9.9231 -9.9231 -9.9158 -9.9158 -9.8837 -9.8837 -9.8256 -9.8256 -9.7427 -9.7427 -9.6753 -9.6753 -1.8544 -1.8544 2.4372 2.4372 7.6108 7.6108 9.1189 9.1189 12.9533 12.9533 14.5989 14.5989 15.4278 15.4278 15.7708 15.7708 16.6010 16.6010 k = 0.0671-0.0732 0.0000 ( 2235 PWs) bands (ev): -12.8419 -12.8419 -12.8296 -12.8296 -12.8155 -12.8155 -12.7517 -12.7517 -9.9237 -9.9237 -9.9157 -9.9157 -9.8834 -9.8834 -9.8271 -9.8271 -9.7423 -9.7423 -9.6739 -9.6739 -1.8751 -1.8751 2.4912 2.4912 7.5979 7.5979 9.0731 9.0731 13.0340 13.0340 14.5202 14.5202 15.5139 15.5139 15.7935 15.7935 16.6211 16.6211 k = 0.0575-0.0628 0.0000 ( 2237 PWs) bands (ev): -12.8422 -12.8422 -12.8298 -12.8298 -12.8154 -12.8154 -12.7514 -12.7514 -9.9244 -9.9244 -9.9154 -9.9154 -9.8832 -9.8832 -9.8284 -9.8284 -9.7419 -9.7419 -9.6726 -9.6726 -1.8930 -1.8930 2.5398 2.5398 7.5806 7.5806 9.0389 9.0389 13.1003 13.1003 14.4504 14.4504 15.5756 15.5756 15.8412 15.8412 16.6453 16.6453 k = 0.0479-0.0523 0.0000 ( 2231 PWs) bands (ev): -12.8425 -12.8425 -12.8300 -12.8300 -12.8153 -12.8153 -12.7512 -12.7512 -9.9251 -9.9251 -9.9152 -9.9152 -9.8831 -9.8831 -9.8295 -9.8295 -9.7416 -9.7416 -9.6716 -9.6716 -1.9082 -1.9082 2.5823 2.5823 7.5609 7.5609 9.0143 9.0143 13.1536 13.1536 14.3902 14.3902 15.6095 15.6095 15.9114 15.9114 16.6744 16.6744 k = 0.0383-0.0419 0.0000 ( 2235 PWs) bands (ev): -12.8428 -12.8428 -12.8302 -12.8302 -12.8152 -12.8152 -12.7510 -12.7510 -9.9256 -9.9256 -9.9149 -9.9149 -9.8830 -9.8830 -9.8304 -9.8304 -9.7414 -9.7414 -9.6707 -9.6707 -1.9206 -1.9206 2.6181 2.6181 7.5412 7.5412 8.9974 8.9974 13.1951 13.1951 14.3402 14.3402 15.6254 15.6254 15.9876 15.9876 16.7082 16.7082 k = 0.0287-0.0314 0.0000 ( 2237 PWs) bands (ev): -12.8430 -12.8430 -12.8303 -12.8303 -12.8152 -12.8152 -12.7508 -12.7508 -9.9260 -9.9260 -9.9147 -9.9147 -9.8829 -9.8829 -9.8312 -9.8312 -9.7412 -9.7412 -9.6701 -9.6701 -1.9303 -1.9303 2.6467 2.6467 7.5235 7.5235 8.9863 8.9863 13.2259 13.2259 14.3007 14.3007 15.6328 15.6328 16.0550 16.0550 16.7448 16.7448 k = 0.0192-0.0209 0.0000 ( 2237 PWs) bands (ev): -12.8432 -12.8432 -12.8304 -12.8304 -12.8151 -12.8151 -12.7507 -12.7507 -9.9263 -9.9263 -9.9145 -9.9145 -9.8828 -9.8828 -9.8317 -9.8317 -9.7411 -9.7411 -9.6696 -9.6696 -1.9372 -1.9372 2.6674 2.6674 7.5095 7.5095 8.9795 8.9795 13.2473 13.2473 14.2723 14.2723 15.6362 15.6362 16.1056 16.1056 16.7791 16.7791 k = 0.0096-0.0105 0.0000 ( 2235 PWs) bands (ev): -12.8432 -12.8432 -12.8304 -12.8304 -12.8151 -12.8151 -12.7506 -12.7506 -9.9265 -9.9265 -9.9144 -9.9144 -9.8828 -9.8828 -9.8320 -9.8320 -9.7410 -9.7410 -9.6693 -9.6693 -1.9413 -1.9413 2.6800 2.6800 7.5006 7.5006 8.9759 8.9759 13.2598 13.2598 14.2551 14.2551 15.6377 15.6377 16.1363 16.1363 16.8042 16.8042 k = 0.0000 0.0000 0.0000 ( 2233 PWs) bands (ev): -12.8433 -12.8433 -12.8305 -12.8305 -12.8151 -12.8151 -12.7506 -12.7506 -9.9266 -9.9266 -9.9144 -9.9144 -9.8827 -9.8827 -9.8321 -9.8321 -9.7409 -9.7409 -9.6692 -9.6692 -1.9427 -1.9427 2.6843 2.6843 7.4976 7.4976 8.9748 8.9748 13.2639 13.2639 14.2494 14.2494 15.6382 15.6382 16.1465 16.1465 16.8134 16.8134 k = 0.0000 0.0000 0.0000 ( 2233 PWs) bands (ev): -12.8433 -12.8433 -12.8305 -12.8305 -12.8151 -12.8151 -12.7506 -12.7506 -9.9266 -9.9266 -9.9144 -9.9144 -9.8827 -9.8827 -9.8321 -9.8321 -9.7409 -9.7409 -9.6692 -9.6692 -1.9427 -1.9427 2.6843 2.6843 7.4976 7.4976 8.9748 8.9748 13.2639 13.2639 14.2494 14.2494 15.6382 15.6382 16.1465 16.1465 16.8134 16.8134 k = 0.0139-0.0012-0.0035 ( 2236 PWs) bands (ev): -12.8433 -12.8433 -12.8304 -12.8304 -12.8151 -12.8151 -12.7507 -12.7507 -9.9265 -9.9265 -9.9144 -9.9144 -9.8827 -9.8827 -9.8320 -9.8320 -9.7410 -9.7410 -9.6693 -9.6693 -1.9413 -1.9413 2.6801 2.6801 7.5000 7.5000 8.9766 8.9766 13.2585 13.2585 14.2552 14.2552 15.6360 15.6360 16.1344 16.1344 16.8089 16.8089 k = 0.0278-0.0024-0.0070 ( 2237 PWs) bands (ev): -12.8432 -12.8432 -12.8303 -12.8303 -12.8151 -12.8151 -12.7507 -12.7507 -9.9263 -9.9263 -9.9145 -9.9145 -9.8827 -9.8827 -9.8318 -9.8318 -9.7411 -9.7411 -9.6696 -9.6696 -1.9371 -1.9371 2.6676 2.6676 7.5075 7.5075 8.9821 8.9821 13.2426 13.2426 14.2726 14.2726 15.6290 15.6290 16.0991 16.0991 16.7960 16.7960 k = 0.0417-0.0037-0.0105 ( 2235 PWs) bands (ev): -12.8431 -12.8431 -12.8301 -12.8301 -12.8152 -12.8152 -12.7509 -12.7509 -9.9260 -9.9260 -9.9145 -9.9145 -9.8827 -9.8827 -9.8314 -9.8314 -9.7412 -9.7412 -9.6702 -9.6702 -1.9301 -1.9301 2.6470 2.6470 7.5198 7.5198 8.9912 8.9912 13.2163 13.2163 14.3015 14.3015 15.6161 15.6161 16.0435 16.0435 16.7766 16.7766 k = 0.0556-0.0049-0.0140 ( 2235 PWs) bands (ev): -12.8430 -12.8430 -12.8299 -12.8299 -12.8152 -12.8152 -12.7510 -12.7510 -9.9256 -9.9256 -9.9146 -9.9146 -9.8827 -9.8827 -9.8308 -9.8308 -9.7415 -9.7415 -9.6709 -9.6709 -1.9202 -1.9202 2.6184 2.6184 7.5369 7.5369 9.0039 9.0039 13.1798 13.1798 14.3418 14.3418 15.5948 15.5948 15.9726 15.9726 16.7529 16.7529 k = 0.0694-0.0061-0.0175 ( 2234 PWs) bands (ev): -12.8429 -12.8429 -12.8296 -12.8296 -12.8152 -12.8152 -12.7513 -12.7513 -9.9251 -9.9251 -9.9147 -9.9147 -9.8828 -9.8828 -9.8300 -9.8300 -9.7418 -9.7418 -9.6719 -9.6719 -1.9076 -1.9076 2.5821 2.5821 7.5586 7.5586 9.0201 9.0201 13.1337 13.1337 14.3931 14.3931 15.5601 15.5601 15.8942 15.8942 16.7271 16.7271 k = 0.0833-0.0073-0.0210 ( 2238 PWs) bands (ev): -12.8427 -12.8427 -12.8292 -12.8292 -12.8153 -12.8153 -12.7516 -12.7516 -9.9246 -9.9246 -9.9147 -9.9147 -9.8828 -9.8828 -9.8291 -9.8291 -9.7422 -9.7422 -9.6730 -9.6730 -1.8922 -1.8922 2.5384 2.5384 7.5849 7.5849 9.0400 9.0400 13.0783 13.0783 14.4551 14.4551 15.5047 15.5047 15.8191 15.8191 16.7008 16.7008 k = 0.0972-0.0086-0.0245 ( 2238 PWs) bands (ev): -12.8425 -12.8425 -12.8288 -12.8288 -12.8153 -12.8153 -12.7519 -12.7519 -9.9240 -9.9240 -9.9146 -9.9146 -9.8828 -9.8828 -9.8280 -9.8280 -9.7426 -9.7426 -9.6744 -9.6744 -1.8739 -1.8739 2.4877 2.4877 7.6154 7.6154 9.0633 9.0633 13.0144 13.0144 14.5272 14.5272 15.4222 15.4222 15.7571 15.7571 16.6755 16.6755 k = 0.1111-0.0098-0.0280 ( 2238 PWs) bands (ev): -12.8423 -12.8423 -12.8284 -12.8284 -12.8153 -12.8153 -12.7523 -12.7523 -9.9234 -9.9234 -9.9144 -9.9144 -9.8829 -9.8829 -9.8267 -9.8267 -9.7431 -9.7431 -9.6759 -9.6759 -1.8529 -1.8529 2.4305 2.4305 7.6501 7.6501 9.0902 9.0902 12.9424 12.9424 14.6086 14.6086 15.3137 15.3137 15.7102 15.7102 16.6522 16.6522 k = 0.1250-0.0110-0.0315 ( 2240 PWs) bands (ev): -12.8420 -12.8420 -12.8278 -12.8278 -12.8153 -12.8153 -12.7528 -12.7528 -9.9229 -9.9229 -9.9139 -9.9139 -9.8830 -9.8830 -9.8254 -9.8254 -9.7438 -9.7438 -9.6776 -9.6776 -1.8291 -1.8291 2.3672 2.3672 7.6888 7.6888 9.1206 9.1206 12.8630 12.8630 14.6976 14.6976 15.1872 15.1872 15.6741 15.6741 16.6313 16.6313 k = 0.1389-0.0122-0.0350 ( 2240 PWs) bands (ev): -12.8417 -12.8417 -12.8273 -12.8273 -12.8153 -12.8153 -12.7533 -12.7533 -9.9226 -9.9226 -9.9133 -9.9133 -9.8831 -9.8831 -9.8239 -9.8239 -9.7445 -9.7445 -9.6795 -9.6795 -1.8025 -1.8025 2.2983 2.2983 7.7313 7.7313 9.1543 9.1543 12.7770 12.7770 14.7887 14.7887 15.0535 15.0535 15.6450 15.6450 16.6135 16.6135 k = 0.1528-0.0135-0.0385 ( 2239 PWs) bands (ev): -12.8414 -12.8414 -12.8267 -12.8267 -12.8153 -12.8153 -12.7538 -12.7538 -9.9224 -9.9224 -9.9123 -9.9123 -9.8832 -9.8832 -9.8222 -9.8222 -9.7452 -9.7452 -9.6815 -9.6815 -1.7732 -1.7732 2.2242 2.2242 7.7773 7.7773 9.1915 9.1915 12.6849 12.6849 14.8324 14.8324 14.9648 14.9648 15.6216 15.6216 16.5989 16.5989 k = 0.1667-0.0147-0.0421 ( 2239 PWs) bands (ev): -12.8411 -12.8411 -12.8261 -12.8261 -12.8152 -12.8152 -12.7544 -12.7544 -9.9223 -9.9223 -9.9112 -9.9112 -9.8832 -9.8832 -9.8205 -9.8205 -9.7461 -9.7461 -9.6837 -9.6837 -1.7411 -1.7411 2.1455 2.1455 7.8267 7.8267 9.2321 9.2321 12.5875 12.5875 14.7169 14.7169 15.0318 15.0318 15.6061 15.6061 16.5878 16.5878 k = 0.1806-0.0159-0.0456 ( 2237 PWs) bands (ev): -12.8408 -12.8408 -12.8256 -12.8256 -12.8150 -12.8150 -12.7551 -12.7551 -9.9223 -9.9223 -9.9098 -9.9098 -9.8833 -9.8833 -9.8186 -9.8186 -9.7471 -9.7471 -9.6861 -9.6861 -1.7063 -1.7063 2.0625 2.0625 7.8795 7.8795 9.2760 9.2760 12.4853 12.4853 14.5647 14.5647 15.1266 15.1266 15.6046 15.6046 16.5800 16.5800 k = 0.1944-0.0171-0.0491 ( 2237 PWs) bands (ev): -12.8404 -12.8404 -12.8250 -12.8250 -12.8148 -12.8148 -12.7558 -12.7558 -9.9223 -9.9223 -9.9084 -9.9084 -9.8833 -9.8833 -9.8167 -9.8167 -9.7482 -9.7482 -9.6885 -9.6885 -1.6687 -1.6687 1.9758 1.9758 7.9353 7.9353 9.3232 9.3232 12.3790 12.3790 14.4063 14.4063 15.2065 15.2065 15.6295 15.6295 16.5761 16.5761 k = 0.2083-0.0183-0.0526 ( 2240 PWs) bands (ev): -12.8401 -12.8401 -12.8246 -12.8246 -12.8144 -12.8144 -12.7565 -12.7565 -9.9224 -9.9224 -9.9069 -9.9069 -9.8832 -9.8832 -9.8147 -9.8147 -9.7494 -9.7494 -9.6911 -9.6911 -1.6284 -1.6284 1.8858 1.8858 7.9942 7.9942 9.3736 9.3736 12.2692 12.2692 14.2456 14.2456 15.2544 15.2544 15.6942 15.6942 16.5764 16.5764 k = 0.2222-0.0196-0.0561 ( 2239 PWs) bands (ev): -12.8397 -12.8397 -12.8242 -12.8242 -12.8139 -12.8139 -12.7574 -12.7574 -9.9224 -9.9224 -9.9054 -9.9054 -9.8829 -9.8829 -9.8126 -9.8126 -9.7507 -9.7507 -9.6937 -9.6937 -1.5854 -1.5854 1.7929 1.7929 8.0559 8.0559 9.4274 9.4274 12.1564 12.1564 14.0840 14.0840 15.2692 15.2692 15.7973 15.7973 16.5822 16.5822 k = 0.2361-0.0208-0.0596 ( 2238 PWs) bands (ev): -12.8393 -12.8393 -12.8239 -12.8239 -12.8132 -12.8132 -12.7582 -12.7582 -9.9225 -9.9225 -9.9040 -9.9040 -9.8823 -9.8823 -9.8105 -9.8105 -9.7521 -9.7521 -9.6964 -9.6964 -1.5397 -1.5397 1.6976 1.6976 8.1204 8.1204 9.4844 9.4844 12.0410 12.0410 13.9223 13.9223 15.2627 15.2627 15.9235 15.9235 16.5961 16.5961 k = 0.2500-0.0220-0.0631 ( 2241 PWs) bands (ev): -12.8389 -12.8389 -12.8238 -12.8238 -12.8124 -12.8124 -12.7592 -12.7592 -9.9225 -9.9225 -9.9028 -9.9028 -9.8815 -9.8815 -9.8084 -9.8084 -9.7536 -9.7536 -9.6992 -9.6992 -1.4913 -1.4913 1.6001 1.6001 8.1876 8.1876 9.5446 9.5446 11.9237 11.9237 13.7610 13.7610 15.2453 15.2453 16.0568 16.0568 16.6238 16.6238 k = 0.2639-0.0232-0.0666 ( 2240 PWs) bands (ev): -12.8384 -12.8384 -12.8237 -12.8237 -12.8115 -12.8115 -12.7601 -12.7601 -9.9225 -9.9225 -9.9019 -9.9019 -9.8802 -9.8802 -9.8062 -9.8062 -9.7552 -9.7552 -9.7020 -9.7020 -1.4403 -1.4403 1.5009 1.5009 8.2575 8.2575 9.6081 9.6081 11.8048 11.8048 13.6005 13.6005 15.2226 15.2226 16.1806 16.1806 16.6757 16.6757 k = 0.2778-0.0245-0.0701 ( 2242 PWs) bands (ev): -12.8380 -12.8380 -12.8238 -12.8238 -12.8104 -12.8104 -12.7612 -12.7612 -9.9225 -9.9225 -9.9013 -9.9013 -9.8786 -9.8786 -9.8042 -9.8042 -9.7569 -9.7569 -9.7048 -9.7048 -1.3867 -1.3867 1.4004 1.4004 8.3299 8.3299 9.6747 9.6747 11.6847 11.6847 13.4412 13.4412 15.1975 15.1975 16.2776 16.2776 16.7657 16.7657 k = 0.2917-0.0257-0.0736 ( 2241 PWs) bands (ev): -12.8376 -12.8376 -12.8239 -12.8239 -12.8092 -12.8092 -12.7622 -12.7622 -9.9224 -9.9224 -9.9010 -9.9010 -9.8766 -9.8766 -9.8021 -9.8021 -9.7587 -9.7587 -9.7076 -9.7076 -1.3304 -1.3304 1.2987 1.2987 8.4047 8.4047 9.7445 9.7445 11.5638 11.5638 13.2833 13.2833 15.1716 15.1716 16.3405 16.3405 16.8996 16.8996 k = 0.3056-0.0269-0.0771 ( 2242 PWs) bands (ev): -12.8371 -12.8371 -12.8241 -12.8241 -12.8079 -12.8079 -12.7633 -12.7633 -9.9223 -9.9223 -9.9010 -9.9010 -9.8742 -9.8742 -9.8002 -9.8002 -9.7605 -9.7605 -9.7105 -9.7105 -1.2716 -1.2716 1.1962 1.1962 8.4821 8.4821 9.8174 9.8174 11.4425 11.4425 13.1270 13.1270 15.1457 15.1457 16.3768 16.3768 17.0683 17.0683 k = 0.3194-0.0281-0.0806 ( 2244 PWs) bands (ev): -12.8366 -12.8366 -12.8243 -12.8243 -12.8065 -12.8065 -12.7645 -12.7645 -9.9221 -9.9221 -9.9012 -9.9012 -9.8714 -9.8714 -9.7985 -9.7985 -9.7623 -9.7623 -9.7132 -9.7132 -1.2103 -1.2103 1.0932 1.0932 8.5617 8.5617 9.8934 9.8934 11.3210 11.3210 12.9726 12.9726 15.1205 15.1205 16.3975 16.3975 17.2600 17.2600 k = 0.3333-0.0294-0.0841 ( 2244 PWs) bands (ev): -12.8362 -12.8362 -12.8246 -12.8246 -12.8051 -12.8051 -12.7657 -12.7657 -9.9219 -9.9219 -9.9016 -9.9016 -9.8685 -9.8685 -9.7971 -9.7971 -9.7640 -9.7640 -9.7160 -9.7160 -1.1464 -1.1464 0.9900 0.9900 8.6438 8.6438 9.9725 9.9725 11.1997 11.1997 12.8202 12.8202 15.0965 15.0965 16.4096 16.4096 17.4672 17.4672 k = 0.3472-0.0306-0.0876 ( 2244 PWs) bands (ev): -12.8357 -12.8357 -12.8249 -12.8249 -12.8036 -12.8036 -12.7670 -12.7670 -9.9216 -9.9216 -9.9020 -9.9020 -9.8653 -9.8653 -9.7960 -9.7960 -9.7655 -9.7655 -9.7187 -9.7187 -1.0801 -1.0801 0.8867 0.8867 8.7281 8.7281 10.0545 10.0545 11.0790 11.0790 12.6699 12.6699 15.0737 15.0737 16.4169 16.4169 17.6854 17.6854 k = 0.3611-0.0318-0.0911 ( 2245 PWs) bands (ev): -12.8352 -12.8352 -12.8253 -12.8253 -12.8021 -12.8021 -12.7683 -12.7683 -9.9213 -9.9213 -9.9026 -9.9026 -9.8619 -9.8619 -9.7954 -9.7954 -9.7667 -9.7667 -9.7213 -9.7213 -1.0113 -1.0113 0.7836 0.7836 8.8146 8.8146 10.1392 10.1392 10.9592 10.9592 12.5219 12.5219 15.0525 15.0525 16.4212 16.4212 17.9122 17.9122 k = 0.3750-0.0330-0.0946 ( 2247 PWs) bands (ev): -12.8347 -12.8347 -12.8257 -12.8257 -12.8006 -12.8006 -12.7696 -12.7696 -9.9210 -9.9210 -9.9033 -9.9033 -9.8584 -9.8584 -9.7954 -9.7954 -9.7675 -9.7675 -9.7239 -9.7239 -0.9401 -0.9401 0.6810 0.6810 8.9034 8.9034 10.2261 10.2261 10.8411 10.8411 12.3763 12.3763 15.0331 15.0331 16.4238 16.4238 18.1461 18.1461 k = 0.3889-0.0342-0.0981 ( 2247 PWs) bands (ev): -12.8342 -12.8342 -12.8261 -12.8261 -12.7990 -12.7990 -12.7709 -12.7709 -9.9206 -9.9206 -9.9040 -9.9040 -9.8548 -9.8548 -9.7961 -9.7961 -9.7678 -9.7678 -9.7263 -9.7263 -0.8666 -0.8666 0.5789 0.5789 8.9943 8.9943 10.3137 10.3137 10.7264 10.7264 12.2332 12.2332 15.0154 15.0154 16.4253 16.4253 18.3855 18.3855 k = 0.4028-0.0355-0.1016 ( 2244 PWs) bands (ev): -12.8337 -12.8337 -12.8265 -12.8265 -12.7974 -12.7974 -12.7723 -12.7723 -9.9202 -9.9202 -9.9047 -9.9047 -9.8511 -9.8511 -9.7975 -9.7975 -9.7675 -9.7675 -9.7286 -9.7286 -0.7908 -0.7908 0.4776 0.4776 9.0873 9.0873 10.3946 10.3946 10.6226 10.6226 12.0927 12.0927 14.9997 14.9997 16.4259 16.4259 18.6293 18.6293 k = 0.4167-0.0367-0.1051 ( 2244 PWs) bands (ev): -12.8332 -12.8332 -12.8269 -12.8269 -12.7959 -12.7959 -12.7736 -12.7736 -9.9197 -9.9197 -9.9054 -9.9054 -9.8474 -9.8474 -9.7995 -9.7995 -9.7669 -9.7669 -9.7308 -9.7308 -0.7127 -0.7127 0.3772 0.3772 9.1824 9.1824 10.4189 10.4189 10.5796 10.5796 11.9549 11.9549 14.9859 14.9859 16.4262 16.4262 18.8748 18.8748 k = 0.4306-0.0379-0.1086 ( 2240 PWs) bands (ev): -12.8327 -12.8327 -12.8274 -12.8274 -12.7944 -12.7944 -12.7750 -12.7750 -9.9193 -9.9193 -9.9061 -9.9061 -9.8437 -9.8437 -9.8019 -9.8019 -9.7660 -9.7660 -9.7329 -9.7329 -0.6325 -0.6325 0.2780 0.2780 9.2795 9.2795 10.3384 10.3384 10.6458 10.6458 11.8199 11.8199 14.9742 14.9742 16.4261 16.4261 19.1105 19.1105 k = 0.4444-0.0391-0.1121 ( 2239 PWs) bands (ev): -12.8322 -12.8322 -12.8278 -12.8278 -12.7930 -12.7930 -12.7763 -12.7763 -9.9189 -9.9189 -9.9067 -9.9067 -9.8401 -9.8401 -9.8046 -9.8046 -9.7649 -9.7649 -9.7347 -9.7347 -0.5502 -0.5502 0.1800 0.1800 9.3786 9.3786 10.2322 10.2322 10.7424 10.7424 11.6877 11.6877 14.9645 14.9645 16.4259 16.4259 19.2484 19.2484 k = 0.4583-0.0404-0.1156 ( 2241 PWs) bands (ev): -12.8317 -12.8317 -12.8283 -12.8283 -12.7916 -12.7916 -12.7775 -12.7775 -9.9186 -9.9186 -9.9072 -9.9072 -9.8366 -9.8366 -9.8073 -9.8073 -9.7639 -9.7639 -9.7363 -9.7363 -0.4659 -0.4659 0.0835 0.0835 9.4795 9.4795 10.1223 10.1223 10.8471 10.8471 11.5584 11.5584 14.9570 14.9570 16.4256 16.4256 19.2647 19.2647 k = 0.4722-0.0416-0.1191 ( 2239 PWs) bands (ev): -12.8313 -12.8313 -12.8287 -12.8287 -12.7905 -12.7905 -12.7785 -12.7785 -9.9183 -9.9183 -9.9076 -9.9076 -9.8336 -9.8336 -9.8099 -9.8099 -9.7631 -9.7631 -9.7375 -9.7375 -0.3800 -0.3800 -0.0113 -0.0113 9.5821 9.5821 10.0126 10.0126 10.9564 10.9564 11.4324 11.4324 14.9516 14.9516 16.4254 16.4254 19.2641 19.2641 k = 0.4861-0.0428-0.1226 ( 2240 PWs) bands (ev): -12.8309 -12.8309 -12.8291 -12.8291 -12.7897 -12.7897 -12.7793 -12.7793 -9.9181 -9.9181 -9.9079 -9.9079 -9.8313 -9.8313 -9.8119 -9.8119 -9.7625 -9.7625 -9.7383 -9.7383 -0.2934 -0.2934 -0.1032 -0.1032 9.6858 9.6858 9.9043 9.9043 11.0690 11.0690 11.3099 11.3099 14.9484 14.9484 16.4253 16.4253 19.2623 19.2623 k = 0.5000-0.0440-0.1262 ( 2238 PWs) bands (ev): -12.8307 -12.8307 -12.8292 -12.8292 -12.7894 -12.7894 -12.7795 -12.7795 -9.9180 -9.9180 -9.9079 -9.9079 -9.8304 -9.8304 -9.8127 -9.8127 -9.7623 -9.7623 -9.7385 -9.7385 -0.2258 -0.2258 -0.1725 -0.1725 9.7730 9.7730 9.8157 9.8157 11.1666 11.1666 11.2090 11.2090 14.9473 14.9473 16.4252 16.4252 19.2615 19.2615 k = 0.5000-0.0440 0.6052 ( 2236 PWs) bands (ev): -12.8197 -12.8197 -12.8001 -12.8001 -12.7785 -12.7785 -12.7604 -12.7604 -9.8977 -9.8977 -9.8963 -9.8963 -9.8306 -9.8306 -9.7852 -9.7852 -9.7235 -9.7235 -9.6937 -9.6937 1.0443 1.0443 2.5738 2.5738 6.7582 6.7582 7.5825 7.5825 9.9015 9.9015 12.1984 12.1984 13.7644 13.7644 13.9672 13.9672 17.3937 17.3937 k = 0.4909-0.0432 0.5942 ( 2235 PWs) bands (ev): -12.8197 -12.8197 -12.8001 -12.8001 -12.7785 -12.7785 -12.7604 -12.7604 -9.8985 -9.8985 -9.8955 -9.8955 -9.8306 -9.8306 -9.7852 -9.7852 -9.7236 -9.7236 -9.6938 -9.6938 1.0384 1.0384 2.5754 2.5754 6.7642 6.7642 7.5853 7.5853 9.9008 9.9008 12.1995 12.1995 13.7628 13.7628 13.9664 13.9664 17.3892 17.3892 k = 0.4818-0.0424 0.5832 ( 2240 PWs) bands (ev): -12.8198 -12.8198 -12.8000 -12.8000 -12.7786 -12.7786 -12.7604 -12.7604 -9.8996 -9.8996 -9.8942 -9.8942 -9.8307 -9.8307 -9.7852 -9.7852 -9.7238 -9.7238 -9.6940 -9.6940 1.0210 1.0210 2.5800 2.5800 6.7822 6.7822 7.5937 7.5937 9.8989 9.8989 12.2027 12.2027 13.7569 13.7569 13.9650 13.9650 17.3766 17.3766 k = 0.4727-0.0416 0.5722 ( 2243 PWs) bands (ev): -12.8199 -12.8199 -12.8000 -12.8000 -12.7788 -12.7788 -12.7604 -12.7604 -9.9007 -9.9007 -9.8929 -9.8929 -9.8308 -9.8308 -9.7852 -9.7852 -9.7242 -9.7242 -9.6944 -9.6944 0.9925 0.9925 2.5874 2.5874 6.8120 6.8120 7.6076 7.6076 9.8957 9.8957 12.2079 12.2079 13.7439 13.7439 13.9663 13.9663 17.3577 17.3577 k = 0.4636-0.0408 0.5612 ( 2242 PWs) bands (ev): -12.8200 -12.8200 -12.7999 -12.7999 -12.7790 -12.7790 -12.7605 -12.7605 -9.9019 -9.9019 -9.8915 -9.8915 -9.8309 -9.8309 -9.7852 -9.7852 -9.7248 -9.7248 -9.6949 -9.6949 0.9538 0.9538 2.5967 2.5967 6.8534 6.8534 7.6269 7.6269 9.8916 9.8916 12.2148 12.2148 13.7208 13.7208 13.9738 13.9738 17.3351 17.3351 k = 0.4545-0.0400 0.5502 ( 2240 PWs) bands (ev): -12.8202 -12.8202 -12.7998 -12.7998 -12.7793 -12.7793 -12.7606 -12.7606 -9.9029 -9.9029 -9.8900 -9.8900 -9.8311 -9.8311 -9.7853 -9.7853 -9.7255 -9.7255 -9.6955 -9.6955 0.9059 0.9059 2.6075 2.6075 6.9062 6.9062 7.6513 7.6513 9.8868 9.8868 12.2230 12.2230 13.6859 13.6859 13.9900 13.9900 17.3114 17.3114 k = 0.4455-0.0392 0.5392 ( 2240 PWs) bands (ev): -12.8204 -12.8204 -12.7997 -12.7997 -12.7797 -12.7797 -12.7607 -12.7607 -9.9039 -9.9039 -9.8886 -9.8886 -9.8313 -9.8313 -9.7853 -9.7853 -9.7263 -9.7263 -9.6963 -9.6963 0.8499 0.8499 2.6189 2.6189 6.9700 6.9700 7.6804 7.6804 9.8817 9.8817 12.2321 12.2321 13.6401 13.6401 14.0151 14.0151 17.2886 17.2886 k = 0.4364-0.0384 0.5282 ( 2241 PWs) bands (ev): -12.8207 -12.8207 -12.7996 -12.7996 -12.7801 -12.7801 -12.7608 -12.7608 -9.9049 -9.9049 -9.8871 -9.8871 -9.8316 -9.8316 -9.7854 -9.7854 -9.7273 -9.7273 -9.6972 -9.6972 0.7870 0.7870 2.6302 2.6302 7.0443 7.0443 7.7140 7.7140 9.8768 9.8768 12.2412 12.2412 13.5854 13.5854 14.0484 14.0484 17.2686 17.2686 k = 0.4273-0.0376 0.5172 ( 2239 PWs) bands (ev): -12.8210 -12.8210 -12.7995 -12.7995 -12.7805 -12.7805 -12.7609 -12.7609 -9.9059 -9.9059 -9.8856 -9.8856 -9.8318 -9.8318 -9.7856 -9.7856 -9.7284 -9.7284 -9.6982 -9.6982 0.7181 0.7181 2.6411 2.6411 7.1286 7.1286 7.7518 7.7518 9.8725 9.8725 12.2495 12.2495 13.5243 13.5243 14.0889 14.0889 17.2526 17.2526 k = 0.4182-0.0368 0.5062 ( 2238 PWs) bands (ev): -12.8213 -12.8213 -12.7994 -12.7994 -12.7810 -12.7810 -12.7610 -12.7610 -9.9067 -9.9067 -9.8842 -9.8842 -9.8321 -9.8321 -9.7858 -9.7858 -9.7297 -9.7297 -9.6992 -9.6992 0.6442 0.6442 2.6510 2.6510 7.2220 7.2220 7.7934 7.7934 9.8694 9.8694 12.2558 12.2558 13.4597 13.4597 14.1357 14.1357 17.2412 17.2412 k = 0.4091-0.0360 0.4952 ( 2240 PWs) bands (ev): -12.8216 -12.8216 -12.7993 -12.7993 -12.7816 -12.7816 -12.7612 -12.7612 -9.9076 -9.9076 -9.8827 -9.8827 -9.8324 -9.8324 -9.7861 -9.7861 -9.7310 -9.7310 -9.7003 -9.7003 0.5664 0.5664 2.6596 2.6596 7.3237 7.3237 7.8385 7.8385 9.8681 9.8681 12.2586 12.2586 13.3944 13.3944 14.1881 14.1881 17.2350 17.2350 k = 0.4000-0.0352 0.4842 ( 2240 PWs) bands (ev): -12.8219 -12.8219 -12.7993 -12.7993 -12.7822 -12.7822 -12.7613 -12.7613 -9.9084 -9.9084 -9.8813 -9.8813 -9.8327 -9.8327 -9.7865 -9.7865 -9.7324 -9.7324 -9.7014 -9.7014 0.4853 0.4853 2.6667 2.6667 7.4323 7.4323 7.8873 7.8873 9.8692 9.8692 12.2560 12.2560 13.3316 13.3316 14.2455 14.2455 17.2340 17.2340 k = 0.3909-0.0344 0.4731 ( 2242 PWs) bands (ev): -12.8223 -12.8223 -12.7994 -12.7994 -12.7828 -12.7828 -12.7614 -12.7614 -9.9092 -9.9092 -9.8800 -9.8800 -9.8330 -9.8330 -9.7870 -9.7870 -9.7339 -9.7339 -9.7025 -9.7025 0.4017 0.4017 2.6723 2.6723 7.5457 7.5457 7.9405 7.9405 9.8734 9.8734 12.2460 12.2460 13.2746 13.2746 14.3072 14.3072 17.2381 17.2381 k = 0.3818-0.0336 0.4621 ( 2239 PWs) bands (ev): -12.8227 -12.8227 -12.7995 -12.7995 -12.7834 -12.7834 -12.7615 -12.7615 -9.9099 -9.9099 -9.8787 -9.8787 -9.8332 -9.8332 -9.7876 -9.7876 -9.7355 -9.7355 -9.7036 -9.7036 0.3163 0.3163 2.6763 2.6763 7.6606 7.6606 8.0000 8.0000 9.8814 9.8814 12.2264 12.2264 13.2268 13.2268 14.3727 14.3727 17.2467 17.2467 k = 0.3727-0.0328 0.4511 ( 2241 PWs) bands (ev): -12.8230 -12.8230 -12.7997 -12.7997 -12.7841 -12.7841 -12.7616 -12.7616 -9.9106 -9.9106 -9.8775 -9.8775 -9.8335 -9.8335 -9.7883 -9.7883 -9.7371 -9.7371 -9.7047 -9.7047 0.2295 0.2295 2.6789 2.6789 7.7709 7.7709 8.0703 8.0703 9.8937 9.8937 12.1959 12.1959 13.1909 13.1909 14.4414 14.4414 17.2588 17.2588 k = 0.3636-0.0320 0.4401 ( 2240 PWs) bands (ev): -12.8234 -12.8234 -12.8000 -12.8000 -12.7848 -12.7848 -12.7617 -12.7617 -9.9113 -9.9113 -9.8764 -9.8764 -9.8338 -9.8338 -9.7892 -9.7892 -9.7387 -9.7387 -9.7056 -9.7056 0.1419 0.1419 2.6801 2.6801 7.8684 7.8684 8.1583 8.1583 9.9109 9.9109 12.1538 12.1538 13.1685 13.1685 14.5127 14.5127 17.2720 17.2720 k = 0.3545-0.0312 0.4291 ( 2240 PWs) bands (ev): -12.8238 -12.8238 -12.8003 -12.8003 -12.7854 -12.7854 -12.7617 -12.7617 -9.9119 -9.9119 -9.8755 -9.8755 -9.8340 -9.8340 -9.7903 -9.7903 -9.7404 -9.7404 -9.7064 -9.7064 0.0539 0.0539 2.6800 2.6800 7.9462 7.9462 8.2692 8.2692 9.9334 9.9334 12.1010 12.1010 13.1601 13.1601 14.5861 14.5861 17.2793 17.2793 k = 0.3455-0.0304 0.4181 ( 2239 PWs) bands (ev): -12.8243 -12.8243 -12.8008 -12.8008 -12.7861 -12.7861 -12.7618 -12.7618 -9.9125 -9.9125 -9.8746 -9.8746 -9.8343 -9.8343 -9.7914 -9.7914 -9.7421 -9.7421 -9.7071 -9.7071 -0.0342 -0.0342 2.6789 2.6789 8.0052 8.0052 8.4008 8.4008 9.9612 9.9612 12.0398 12.0398 13.1649 13.1649 14.6609 14.6609 17.2629 17.2629 k = 0.3364-0.0296 0.4071 ( 2242 PWs) bands (ev): -12.8247 -12.8247 -12.8014 -12.8014 -12.7868 -12.7868 -12.7618 -12.7618 -9.9131 -9.9131 -9.8739 -9.8739 -9.8346 -9.8346 -9.7928 -9.7928 -9.7438 -9.7438 -9.7076 -9.7076 -0.1219 -0.1219 2.6769 2.6769 8.0500 8.0500 8.5472 8.5472 9.9944 9.9944 11.9730 11.9730 13.1815 13.1815 14.7364 14.7364 17.2020 17.2020 k = 0.3273-0.0288 0.3961 ( 2242 PWs) bands (ev): -12.8251 -12.8251 -12.8021 -12.8021 -12.7875 -12.7875 -12.7617 -12.7617 -9.9137 -9.9137 -9.8734 -9.8734 -9.8348 -9.8348 -9.7943 -9.7943 -9.7455 -9.7455 -9.7079 -9.7079 -0.2091 -0.2091 2.6741 2.6741 8.0842 8.0842 8.7032 8.7032 10.0323 10.0323 11.9042 11.9042 13.2081 13.2081 14.8120 14.8120 17.1064 17.1064 k = 0.3182-0.0280 0.3851 ( 2242 PWs) bands (ev): -12.8255 -12.8255 -12.8029 -12.8029 -12.7882 -12.7882 -12.7616 -12.7616 -9.9143 -9.9143 -9.8730 -9.8730 -9.8352 -9.8352 -9.7959 -9.7959 -9.7471 -9.7471 -9.7081 -9.7081 -0.2954 -0.2954 2.6708 2.6708 8.1102 8.1102 8.8654 8.8654 10.0742 10.0742 11.8370 11.8370 13.2433 13.2433 14.8870 14.8870 16.9943 16.9943 k = 0.3091-0.0272 0.3741 ( 2243 PWs) bands (ev): -12.8259 -12.8259 -12.8038 -12.8038 -12.7890 -12.7890 -12.7615 -12.7615 -9.9148 -9.9148 -9.8729 -9.8729 -9.8355 -9.8355 -9.7976 -9.7976 -9.7487 -9.7487 -9.7080 -9.7080 -0.3807 -0.3807 2.6671 2.6671 8.1292 8.1292 9.0310 9.0310 10.1188 10.1188 11.7753 11.7753 13.2856 13.2856 14.9606 14.9606 16.8746 16.8746 k = 0.3000-0.0264 0.3631 ( 2243 PWs) bands (ev): -12.8263 -12.8263 -12.8048 -12.8048 -12.7897 -12.7897 -12.7613 -12.7613 -9.9153 -9.9153 -9.8729 -9.8729 -9.8360 -9.8360 -9.7994 -9.7994 -9.7501 -9.7501 -9.7077 -9.7077 -0.4647 -0.4647 2.6632 2.6632 8.1419 8.1419 9.1976 9.1976 10.1649 10.1649 11.7231 11.7231 13.3341 13.3341 15.0322 15.0322 16.7514 16.7514 k = 0.2909-0.0256 0.3521 ( 2242 PWs) bands (ev): -12.8268 -12.8268 -12.8059 -12.8059 -12.7905 -12.7905 -12.7611 -12.7611 -9.9159 -9.9159 -9.8731 -9.8731 -9.8365 -9.8365 -9.8013 -9.8013 -9.7515 -9.7515 -9.7073 -9.7073 -0.5472 -0.5472 2.6591 2.6591 8.1489 8.1489 9.3618 9.3618 10.2114 10.2114 11.6846 11.6846 13.3878 13.3878 15.1011 15.1011 16.6269 16.6269 k = 0.2818-0.0248 0.3411 ( 2243 PWs) bands (ev): -12.8272 -12.8272 -12.8071 -12.8071 -12.7912 -12.7912 -12.7609 -12.7609 -9.9164 -9.9164 -9.8735 -9.8735 -9.8371 -9.8371 -9.8033 -9.8033 -9.7526 -9.7526 -9.7067 -9.7067 -0.6281 -0.6281 2.6551 2.6551 8.1509 8.1509 9.5189 9.5189 10.2589 10.2589 11.6639 11.6639 13.4463 13.4463 15.1667 15.1667 16.5029 16.5029 k = 0.2727-0.0240 0.3301 ( 2240 PWs) bands (ev): -12.8276 -12.8276 -12.8084 -12.8084 -12.7920 -12.7920 -12.7606 -12.7606 -9.9169 -9.9169 -9.8740 -9.8740 -9.8378 -9.8378 -9.8053 -9.8053 -9.7537 -9.7537 -9.7059 -9.7059 -0.7073 -0.7073 2.6513 2.6513 8.1482 8.1482 9.6609 9.6609 10.3114 10.3114 11.6646 11.6646 13.5091 13.5091 15.2281 15.2281 16.3805 16.3805 k = 0.2636-0.0232 0.3191 ( 2240 PWs) bands (ev): -12.8280 -12.8280 -12.8096 -12.8096 -12.7929 -12.7929 -12.7602 -12.7602 -9.9174 -9.9174 -9.8748 -9.8748 -9.8387 -9.8387 -9.8073 -9.8073 -9.7545 -9.7545 -9.7049 -9.7049 -0.7846 -0.7846 2.6476 2.6476 8.1414 8.1414 9.7761 9.7761 10.3780 10.3780 11.6889 11.6889 13.5758 13.5758 15.2849 15.2849 16.2607 16.2607 k = 0.2545-0.0224 0.3081 ( 2236 PWs) bands (ev): -12.8285 -12.8285 -12.8110 -12.8110 -12.7938 -12.7938 -12.7599 -12.7599 -9.9178 -9.9178 -9.8758 -9.8758 -9.8397 -9.8397 -9.8094 -9.8094 -9.7551 -9.7551 -9.7038 -9.7038 -0.8599 -0.8599 2.6444 2.6444 8.1309 8.1309 9.8520 9.8520 10.4699 10.4699 11.7376 11.7376 13.6462 13.6462 15.3361 15.3361 16.1448 16.1448 k = 0.2455-0.0216 0.2971 ( 2237 PWs) bands (ev): -12.8289 -12.8289 -12.8124 -12.8124 -12.7947 -12.7947 -12.7595 -12.7595 -9.9183 -9.9183 -9.8769 -9.8769 -9.8408 -9.8408 -9.8114 -9.8114 -9.7555 -9.7555 -9.7026 -9.7026 -0.9332 -0.9332 2.6415 2.6415 8.1170 8.1170 9.8850 9.8850 10.5908 10.5908 11.8097 11.8097 13.7202 13.7202 15.3805 15.3805 16.0342 16.0342 k = 0.2364-0.0208 0.2861 ( 2234 PWs) bands (ev): -12.8293 -12.8293 -12.8137 -12.8137 -12.7956 -12.7956 -12.7591 -12.7591 -9.9188 -9.9188 -9.8782 -9.8782 -9.8421 -9.8421 -9.8134 -9.8134 -9.7557 -9.7557 -9.7013 -9.7013 -1.0042 -1.0042 2.6390 2.6390 8.1003 8.1003 9.8831 9.8831 10.7343 10.7343 11.9030 11.9030 13.7979 13.7979 15.4161 15.4161 15.9316 15.9316 k = 0.2273-0.0200 0.2751 ( 2235 PWs) bands (ev): -12.8298 -12.8298 -12.8151 -12.8151 -12.7965 -12.7965 -12.7586 -12.7586 -9.9192 -9.9192 -9.8796 -9.8796 -9.8435 -9.8435 -9.8154 -9.8154 -9.7557 -9.7557 -9.6998 -9.6998 -1.0731 -1.0731 2.6371 2.6371 8.0809 8.0809 9.8573 9.8573 10.8910 10.8910 12.0150 12.0150 13.8791 13.8791 15.4386 15.4386 15.8418 15.8418 k = 0.2182-0.0192 0.2641 ( 2236 PWs) bands (ev): -12.8302 -12.8302 -12.8165 -12.8165 -12.7975 -12.7975 -12.7582 -12.7582 -9.9197 -9.9197 -9.8812 -9.8812 -9.8451 -9.8451 -9.8173 -9.8173 -9.7555 -9.7555 -9.6983 -9.6983 -1.1395 -1.1395 2.6357 2.6357 8.0592 8.0592 9.8163 9.8163 11.0542 11.0542 12.1429 12.1429 13.9640 13.9640 15.4395 15.4395 15.7735 15.7735 k = 0.2091-0.0184 0.2531 ( 2238 PWs) bands (ev): -12.8307 -12.8307 -12.8179 -12.8179 -12.7985 -12.7985 -12.7577 -12.7577 -9.9201 -9.9201 -9.8829 -9.8829 -9.8468 -9.8468 -9.8190 -9.8190 -9.7552 -9.7552 -9.6967 -9.6967 -1.2037 -1.2037 2.6348 2.6348 8.0354 8.0354 9.7660 9.7660 11.2194 11.2194 12.2842 12.2842 14.0528 14.0528 15.4101 15.4101 15.7366 15.7366 k = 0.2000-0.0176 0.2421 ( 2237 PWs) bands (ev): -12.8311 -12.8311 -12.8193 -12.8193 -12.7995 -12.7995 -12.7573 -12.7573 -9.9206 -9.9206 -9.8847 -9.8847 -9.8486 -9.8486 -9.8207 -9.8207 -9.7547 -9.7547 -9.6951 -9.6951 -1.2653 -1.2653 2.6345 2.6345 8.0099 8.0099 9.7102 9.7102 11.3840 11.3840 12.4366 12.4366 14.1457 14.1457 15.3523 15.3523 15.7295 15.7295 k = 0.1909-0.0168 0.2311 ( 2237 PWs) bands (ev): -12.8316 -12.8316 -12.8206 -12.8206 -12.8006 -12.8006 -12.7568 -12.7568 -9.9210 -9.9210 -9.8866 -9.8866 -9.8506 -9.8506 -9.8222 -9.8222 -9.7541 -9.7541 -9.6934 -9.6934 -1.3245 -1.3245 2.6347 2.6347 7.9828 7.9828 9.6517 9.6517 11.5460 11.5460 12.5980 12.5980 14.2431 14.2431 15.2784 15.2784 15.7408 15.7408 k = 0.1818-0.0160 0.2201 ( 2236 PWs) bands (ev): -12.8321 -12.8321 -12.8218 -12.8218 -12.8016 -12.8016 -12.7563 -12.7563 -9.9214 -9.9214 -9.8886 -9.8886 -9.8526 -9.8526 -9.8236 -9.8236 -9.7534 -9.7534 -9.6917 -9.6917 -1.3811 -1.3811 2.6355 2.6355 7.9543 7.9543 9.5923 9.5923 11.7043 11.7043 12.7665 12.7665 14.3450 14.3450 15.1983 15.1983 15.7612 15.7612 k = 0.1727-0.0152 0.2091 ( 2240 PWs) bands (ev): -12.8327 -12.8327 -12.8230 -12.8230 -12.8026 -12.8026 -12.7558 -12.7558 -9.9218 -9.9218 -9.8906 -9.8906 -9.8547 -9.8547 -9.8248 -9.8248 -9.7526 -9.7526 -9.6900 -9.6900 -1.4352 -1.4352 2.6367 2.6367 7.9247 7.9247 9.5334 9.5334 11.8577 11.8577 12.9402 12.9402 14.4519 14.4519 15.1174 15.1174 15.7863 15.7863 k = 0.1636-0.0144 0.1981 ( 2238 PWs) bands (ev): -12.8332 -12.8332 -12.8241 -12.8241 -12.8036 -12.8036 -12.7554 -12.7554 -9.9222 -9.9222 -9.8926 -9.8926 -9.8569 -9.8569 -9.8259 -9.8259 -9.7518 -9.7518 -9.6883 -9.6883 -1.4866 -1.4866 2.6385 2.6385 7.8941 7.8941 9.4759 9.4759 12.0054 12.0054 13.1176 13.1176 14.5637 14.5637 15.0386 15.0386 15.8143 15.8143 k = 0.1545-0.0136 0.1871 ( 2239 PWs) bands (ev): -12.8339 -12.8339 -12.8251 -12.8251 -12.8047 -12.8047 -12.7549 -12.7549 -9.9226 -9.9226 -9.8946 -9.8946 -9.8591 -9.8591 -9.8268 -9.8268 -9.7509 -9.7509 -9.6865 -9.6865 -1.5354 -1.5354 2.6406 2.6406 7.8629 7.8629 9.4206 9.4206 12.1467 12.1467 13.2970 13.2970 14.6791 14.6791 14.9647 14.9647 15.8443 15.8443 k = 0.1455-0.0128 0.1761 ( 2239 PWs) bands (ev): -12.8345 -12.8345 -12.8260 -12.8260 -12.8057 -12.8057 -12.7545 -12.7545 -9.9230 -9.9230 -9.8966 -9.8966 -9.8613 -9.8613 -9.8277 -9.8277 -9.7500 -9.7500 -9.6849 -9.6849 -1.5815 -1.5815 2.6432 2.6432 7.8313 7.8313 9.3681 9.3681 12.2809 12.2809 13.4770 13.4770 14.7861 14.7861 14.9089 14.9089 15.8762 15.8762 k = 0.1364-0.0120 0.1651 ( 2236 PWs) bands (ev): -12.8353 -12.8353 -12.8268 -12.8268 -12.8066 -12.8066 -12.7540 -12.7540 -9.9233 -9.9233 -9.8985 -9.8985 -9.8635 -9.8635 -9.8284 -9.8284 -9.7491 -9.7491 -9.6832 -9.6832 -1.6250 -1.6250 2.6460 2.6460 7.7996 7.7996 9.3185 9.3185 12.4073 12.4073 13.6563 13.6563 14.7932 14.7932 14.9629 14.9629 15.9099 15.9099 k = 0.1273-0.0112 0.1540 ( 2232 PWs) bands (ev): -12.8360 -12.8360 -12.8275 -12.8275 -12.8076 -12.8076 -12.7536 -12.7536 -9.9237 -9.9237 -9.9004 -9.9004 -9.8657 -9.8657 -9.8290 -9.8290 -9.7482 -9.7482 -9.6816 -9.6816 -1.6657 -1.6657 2.6492 2.6492 7.7679 7.7679 9.2723 9.2723 12.5252 12.5252 13.8336 13.8336 14.7376 14.7376 15.0898 15.0898 15.9456 15.9456 k = 0.1182-0.0104 0.1430 ( 2236 PWs) bands (ev): -12.8368 -12.8368 -12.8281 -12.8281 -12.8085 -12.8085 -12.7532 -12.7532 -9.9240 -9.9240 -9.9023 -9.9023 -9.8677 -9.8677 -9.8296 -9.8296 -9.7473 -9.7473 -9.6801 -9.6801 -1.7037 -1.7037 2.6525 2.6525 7.7367 7.7367 9.2295 9.2295 12.6344 12.6344 14.0071 14.0071 14.6811 14.6811 15.2279 15.2279 15.9836 15.9836 k = 0.1091-0.0096 0.1320 ( 2236 PWs) bands (ev): -12.8376 -12.8376 -12.8286 -12.8286 -12.8094 -12.8094 -12.7529 -12.7529 -9.9243 -9.9243 -9.9040 -9.9040 -9.8698 -9.8698 -9.8301 -9.8301 -9.7465 -9.7465 -9.6786 -9.6786 -1.7389 -1.7389 2.6560 2.6560 7.7062 7.7062 9.1902 9.1902 12.7344 12.7344 14.1735 14.1735 14.6318 14.6318 15.3700 15.3700 16.0244 16.0244 k = 0.1000-0.0088 0.1210 ( 2235 PWs) bands (ev): -12.8384 -12.8384 -12.8290 -12.8290 -12.8102 -12.8102 -12.7525 -12.7525 -9.9246 -9.9246 -9.9056 -9.9056 -9.8717 -9.8717 -9.8305 -9.8305 -9.7457 -9.7457 -9.6772 -9.6772 -1.7713 -1.7713 2.6595 2.6595 7.6768 7.6768 9.1544 9.1544 12.8250 12.8250 14.3223 14.3223 14.6007 14.6007 15.5122 15.5122 16.0691 16.0691 k = 0.0909-0.0080 0.1100 ( 2236 PWs) bands (ev): -12.8391 -12.8391 -12.8293 -12.8293 -12.8110 -12.8110 -12.7522 -12.7522 -9.9249 -9.9249 -9.9071 -9.9071 -9.8735 -9.8735 -9.8308 -9.8308 -9.7449 -9.7449 -9.6759 -9.6759 -1.8010 -1.8010 2.6630 2.6630 7.6487 7.6487 9.1221 9.1221 12.9063 12.9063 14.4123 14.4123 14.6288 14.6288 15.6500 15.6500 16.1194 16.1194 k = 0.0818-0.0072 0.0990 ( 2236 PWs) bands (ev): -12.8399 -12.8399 -12.8296 -12.8296 -12.8117 -12.8117 -12.7519 -12.7519 -9.9252 -9.9252 -9.9085 -9.9085 -9.8751 -9.8751 -9.8311 -9.8311 -9.7442 -9.7442 -9.6747 -9.6747 -1.8279 -1.8279 2.6665 2.6665 7.6222 7.6222 9.0932 9.0932 12.9784 12.9784 14.4158 14.4158 14.7429 14.7429 15.7772 15.7772 16.1788 16.1788 k = 0.0727-0.0064 0.0880 ( 2232 PWs) bands (ev): -12.8405 -12.8405 -12.8298 -12.8298 -12.8124 -12.8124 -12.7517 -12.7517 -9.9254 -9.9254 -9.9097 -9.9097 -9.8767 -9.8767 -9.8313 -9.8313 -9.7435 -9.7435 -9.6736 -9.6736 -1.8519 -1.8519 2.6698 2.6698 7.5976 7.5976 9.0677 9.0677 13.0414 13.0414 14.3900 14.3900 14.8852 14.8852 15.8861 15.8861 16.2513 16.2513 k = 0.0636-0.0056 0.0770 ( 2234 PWs) bands (ev): -12.8411 -12.8411 -12.8300 -12.8300 -12.8130 -12.8130 -12.7514 -12.7514 -9.9257 -9.9257 -9.9108 -9.9108 -9.8781 -9.8781 -9.8315 -9.8315 -9.7429 -9.7429 -9.6726 -9.6726 -1.8732 -1.8732 2.6729 2.6729 7.5753 7.5753 9.0455 9.0455 13.0958 13.0958 14.3602 14.3602 15.0290 15.0290 15.9712 15.9712 16.3390 16.3390 k = 0.0545-0.0048 0.0660 ( 2237 PWs) bands (ev): -12.8417 -12.8417 -12.8301 -12.8301 -12.8136 -12.8136 -12.7512 -12.7512 -9.9259 -9.9259 -9.9118 -9.9118 -9.8793 -9.8793 -9.8317 -9.8317 -9.7424 -9.7424 -9.6717 -9.6717 -1.8916 -1.8916 2.6757 2.6757 7.5554 7.5554 9.0264 9.0264 13.1419 13.1419 14.3321 14.3321 15.1665 15.1665 16.0331 16.0331 16.4371 16.4371 k = 0.0455-0.0040 0.0550 ( 2239 PWs) bands (ev): -12.8422 -12.8422 -12.8302 -12.8302 -12.8140 -12.8140 -12.7510 -12.7510 -9.9261 -9.9261 -9.9126 -9.9126 -9.8803 -9.8803 -9.8318 -9.8318 -9.7420 -9.7420 -9.6709 -9.6709 -1.9072 -1.9072 2.6782 2.6782 7.5381 7.5381 9.0105 9.0105 13.1801 13.1801 14.3074 14.3074 15.2939 15.2939 16.0767 16.0767 16.5365 16.5365 k = 0.0364-0.0032 0.0440 ( 2236 PWs) bands (ev): -12.8426 -12.8426 -12.8303 -12.8303 -12.8144 -12.8144 -12.7509 -12.7509 -9.9263 -9.9263 -9.9132 -9.9132 -9.8812 -9.8812 -9.8319 -9.8319 -9.7416 -9.7416 -9.6703 -9.6703 -1.9200 -1.9200 2.6803 2.6803 7.5237 7.5237 8.9975 8.9975 13.2107 13.2107 14.2868 14.2868 15.4073 15.4073 16.1069 16.1069 16.6284 16.6284 k = 0.0273-0.0024 0.0330 ( 2239 PWs) bands (ev): -12.8429 -12.8429 -12.8304 -12.8304 -12.8147 -12.8147 -12.7508 -12.7508 -9.9264 -9.9264 -9.9137 -9.9137 -9.8819 -9.8819 -9.8320 -9.8320 -9.7413 -9.7413 -9.6698 -9.6698 -1.9299 -1.9299 2.6820 2.6820 7.5124 7.5124 8.9876 8.9876 13.2342 13.2342 14.2705 14.2705 15.5028 15.5028 16.1268 16.1268 16.7060 16.7060 k = 0.0182-0.0016 0.0220 ( 2238 PWs) bands (ev): -12.8431 -12.8431 -12.8304 -12.8304 -12.8149 -12.8149 -12.7507 -12.7507 -9.9265 -9.9265 -9.9141 -9.9141 -9.8823 -9.8823 -9.8321 -9.8321 -9.7411 -9.7411 -9.6695 -9.6695 -1.9370 -1.9370 2.6833 2.6833 7.5042 7.5042 8.9805 8.9805 13.2508 13.2508 14.2588 14.2588 15.5759 15.5759 16.1387 16.1387 16.7647 16.7647 k = 0.0091-0.0008 0.0110 ( 2235 PWs) bands (ev): -12.8432 -12.8432 -12.8304 -12.8304 -12.8151 -12.8151 -12.7506 -12.7506 -9.9266 -9.9266 -9.9143 -9.9143 -9.8826 -9.8826 -9.8321 -9.8321 -9.7410 -9.7410 -9.6693 -9.6693 -1.9413 -1.9413 2.6840 2.6840 7.4992 7.4992 8.9762 8.9762 13.2606 13.2606 14.2517 14.2517 15.6222 15.6222 16.1447 16.1447 16.8011 16.8011 k = 0.0000 0.0000 0.0000 ( 2233 PWs) bands (ev): -12.8433 -12.8433 -12.8305 -12.8305 -12.8151 -12.8151 -12.7506 -12.7506 -9.9266 -9.9266 -9.9144 -9.9144 -9.8827 -9.8827 -9.8321 -9.8321 -9.7409 -9.7409 -9.6692 -9.6692 -1.9427 -1.9427 2.6843 2.6843 7.4976 7.4976 8.9748 8.9748 13.2639 13.2639 14.2494 14.2494 15.6382 15.6382 16.1465 16.1465 16.8134 16.8134 Writing output data file Bi.save init_run : 0.16s CPU 0.31s WALL ( 1 calls) electrons : 60.75s CPU 62.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 60.74s CPU 62.10s 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 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.02s WALL ( 350 calls) cegterg : 56.06s CPU 57.09s WALL ( 363 calls) Called by sum_band: Called by *egterg: h_psi : 24.54s CPU 25.25s WALL ( 5761 calls) s_psi : 1.01s CPU 1.04s WALL ( 5761 calls) g_psi : 0.06s CPU 0.07s WALL ( 5048 calls) cdiaghg : 29.72s CPU 30.20s WALL ( 5398 calls) cegterg:over : 1.84s CPU 1.74s WALL ( 5048 calls) cegterg:upda : 1.16s CPU 1.23s WALL ( 5048 calls) cegterg:last : 0.56s CPU 0.61s WALL ( 808 calls) cdiaghg:chol : 1.56s CPU 1.52s WALL ( 5398 calls) cdiaghg:inve : 0.98s CPU 1.00s WALL ( 5398 calls) cdiaghg:para : 1.64s CPU 1.66s WALL ( 10796 calls) Called by h_psi: h_psi:vloc : 22.20s CPU 22.71s WALL ( 5761 calls) h_psi:vnl : 2.28s CPU 2.49s WALL ( 5761 calls) add_vuspsi : 1.24s CPU 1.38s WALL ( 5761 calls) General routines calbec : 1.02s CPU 1.10s WALL ( 5761 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.10s CPU 20.58s WALL ( 422988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.19s WALL ( 700 calls) Parallel routines fft_scatter : 9.22s CPU 9.44s WALL ( 423011 calls) PWSCF : 1m10.92s CPU 1m25.37s WALL This run was terminated on: 14:30:39 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=