BiOCl Gamma Z bandstructure Wave-vector (Angstrom^-1) Frequency(cm^-1) 0.0000000 -0.306042 -0.306042 -0.062074 70.294647 70.294647 90.749527 90.749527 144.267365 149.094620 149.094620 184.793427 195.379974 289.308777 289.308777 389.616333 439.623413 439.623413 516.576111 0.0013598 0.683411 0.683411 1.177559 70.294907 70.294907 90.763405 90.763405 144.256088 149.083771 149.083771 184.799469 195.378922 289.309296 289.309296 389.616241 439.623352 439.623352 516.576294 0.0027195 1.465161 1.465161 2.356826 70.295700 70.295700 90.805016 90.805016 144.222336 149.051254 149.051254 184.817581 195.375732 289.310883 289.310883 389.615936 439.623169 439.623169 516.576721 0.0040793 2.222121 2.222121 3.534058 70.297028 70.297028 90.874329 90.874329 144.166229 148.997116 148.997116 184.847656 195.370438 289.313477 289.313477 389.615479 439.622864 439.622864 516.577576 0.0054391 2.971205 2.971205 4.708913 70.298866 70.298866 90.971252 90.971252 144.088013 148.921371 148.921371 184.889542 195.363007 289.317108 289.317108 389.614838 439.622467 439.622467 516.578735 0.0067988 3.714861 3.714861 5.880720 70.301224 70.301224 91.095688 91.095688 143.988052 148.824142 148.824142 184.943039 195.353455 289.321716 289.321716 389.613983 439.621948 439.621948 516.580261 0.0081586 4.453343 4.453343 7.048741 70.304092 70.304092 91.247498 91.247498 143.866730 148.705505 148.705505 185.007874 195.341766 289.327332 289.327332 389.612976 439.621307 439.621307 516.582214 0.0095184 5.186300 5.186300 8.212218 70.307449 70.307449 91.426514 91.426514 143.724594 148.565598 148.565598 185.083725 195.327927 289.333893 289.333893 389.611786 439.620575 439.620575 516.584595 0.0108782 5.913163 5.913163 9.370372 70.311302 70.311302 91.632523 91.632523 143.562225 148.404572 148.404572 185.170242 195.311951 289.341370 289.341370 389.610443 439.619751 439.619751 516.587524 0.0122379 6.633274 6.633274 10.522411 70.315620 70.315620 91.865273 91.865273 143.380295 148.222595 148.222595 185.266998 195.293793 289.349701 289.349701 389.608887 439.618805 439.618805 516.591003 0.0135977 7.345940 7.345940 11.667527 70.320396 70.320396 92.124496 92.124496 143.179550 148.019867 148.019867 185.373581 195.273468 289.358887 289.358887 389.607208 439.617767 439.617767 516.595032 0.0149575 8.050454 8.050454 12.804895 70.325615 70.325615 92.409851 92.409851 142.960815 147.796631 147.796631 185.489487 195.250961 289.368835 289.368835 389.605347 439.616638 439.616638 516.599792 0.0163172 8.746108 8.746108 13.933674 70.331253 70.331253 92.720963 92.720963 142.724976 147.553101 147.553101 185.614227 195.226242 289.379517 289.379517 389.603333 439.615448 439.615448 516.605164 0.0176770 9.432205 9.432205 15.052999 70.337296 70.337296 93.057426 93.057426 142.472961 147.289581 147.289581 185.747284 195.199310 289.390900 289.390900 389.601166 439.614136 439.614136 516.611389 0.0190368 10.108056 10.108056 16.161991 70.343727 70.343727 93.418770 93.418770 142.205750 147.006363 147.006363 185.888107 195.170135 289.402893 289.402893 389.598846 439.612793 439.612793 516.618408 0.0203965 10.772989 10.772989 17.259745 70.350510 70.350510 93.804459 93.804459 141.924408 146.703796 146.703796 186.036148 195.138687 289.415466 289.415466 389.596405 439.611359 439.611359 516.626221 0.0217563 11.426350 11.426350 18.345333 70.357635 70.357635 94.213928 94.213928 141.629990 146.382233 146.382233 186.190842 195.104965 289.428528 289.428528 389.593842 439.609894 439.609894 516.635010 0.0231161 12.067500 12.067500 19.417807 70.365074 70.365074 94.646538 94.646538 141.323624 146.042068 146.042068 186.351639 195.068924 289.442017 289.442017 389.591187 439.608337 439.608337 516.644714 0.0244759 12.695823 12.695823 20.476194 70.372795 70.372795 95.101585 95.101585 141.006485 145.683746 145.683746 186.517975 195.030548 289.455902 289.455902 389.588379 439.606781 439.606781 516.655334 0.0258356 13.310722 13.310722 21.519493 70.380775 70.380775 95.578308 95.578308 140.679749 145.307739 145.307739 186.689301 194.989807 289.470093 289.470093 389.585510 439.605164 439.605164 516.666992 0.0271954 13.911622 13.911622 22.546684 70.388985 70.388985 96.075882 96.075882 140.344635 144.914551 144.914551 186.865067 194.946655 289.484558 289.484558 389.582520 439.603516 439.603516 516.679626 0.0285552 14.497967 14.497967 23.556713 70.397392 70.397392 96.593391 96.593391 140.002380 144.504730 144.504730 187.044724 194.901077 289.499176 289.499176 389.579468 439.601837 439.601837 516.693298 0.0299149 15.069222 15.069222 24.548510 70.405975 70.405975 97.129868 97.129868 139.654266 144.078903 144.078903 187.227768 194.853027 289.513947 289.513947 389.576355 439.600128 439.600128 516.707886 0.0312747 15.624879 15.624879 25.520971 70.414696 70.414696 97.684242 97.684242 139.301559 143.637711 143.637711 187.413666 194.802460 289.528748 289.528748 389.573151 439.598450 439.598450 516.723450 0.0326345 16.164444 16.164444 26.472975 70.423531 70.423531 98.255379 98.255379 138.945572 143.181885 143.181885 187.601929 194.749359 289.543549 289.543549 389.569946 439.596741 439.596741 516.739929 0.0339942 16.687449 16.687449 27.403376 70.432426 70.432426 98.842033 98.842033 138.587631 142.712204 142.712204 187.792084 194.693665 289.558319 289.558319 389.566681 439.595032 439.595032 516.757263 0.0353540 17.193443 17.193443 28.311003 70.441376 70.441376 99.442886 99.442886 138.229050 142.229538 142.229538 187.983673 194.635345 289.572937 289.572937 389.563416 439.593353 439.593353 516.775330 0.0367138 17.681999 17.681999 29.194668 70.450317 70.450317 100.056496 100.056496 137.871185 141.734833 141.734833 188.176239 194.574356 289.587372 289.587372 389.560150 439.591705 439.591705 516.794189 0.0380736 18.152710 18.152710 30.053164 70.459236 70.459236 100.681313 100.681313 137.515381 141.229141 141.229141 188.369370 194.510651 289.601593 289.601593 389.556885 439.590057 439.590057 516.813660 0.0394333 18.605183 18.605183 30.885267 70.468086 70.468086 101.315666 101.315666 137.162979 140.713593 140.713593 188.562668 194.444183 289.615509 289.615509 389.553619 439.588440 439.588440 516.833679 0.0407931 19.039051 19.039051 31.689747 70.476837 70.476837 101.957748 101.957748 136.815338 140.189484 140.189484 188.755722 194.374908 289.629089 289.629089 389.550415 439.586853 439.586853 516.854126 0.0421529 19.453962 19.453962 32.465359 70.485451 70.485451 102.605606 102.605606 136.473816 139.658234 139.658234 188.948181 194.302811 289.642303 289.642303 389.547272 439.585327 439.585327 516.874878 0.0435126 19.849585 19.849585 33.210850 70.493896 70.493896 103.257095 103.257095 136.139740 139.121445 139.121445 189.139694 194.227829 289.655090 289.655090 389.544159 439.583832 439.583832 516.895752 0.0448724 20.225603 20.225603 33.924984 70.502129 70.502129 103.909912 103.909912 135.814468 138.580887 138.580887 189.329910 194.149933 289.667389 289.667389 389.541138 439.582397 439.582397 516.916687 0.0462322 20.581720 20.581720 34.606510 70.510109 70.510109 104.561516 104.561516 135.499283 138.038544 138.038544 189.518524 194.069107 289.679199 289.679199 389.538208 439.581024 439.581024 516.937500 0.0475919 20.917660 20.917660 35.254204 70.517822 70.517822 105.209129 105.209129 135.195511 137.496689 137.496689 189.705215 193.985321 289.690460 289.690460 389.535370 439.579712 439.579712 516.958069 0.0489517 21.233156 21.233156 35.866856 70.525215 70.525215 105.849686 105.849686 134.904404 136.957855 136.957855 189.889679 193.898575 289.701141 289.701141 389.532654 439.578461 439.578461 516.978271 0.0503115 21.527966 21.527966 36.443272 70.532257 70.532257 106.479836 106.479836 134.627197 136.424881 136.424881 190.071625 193.808868 289.711182 289.711182 389.530060 439.577271 439.577271 516.997864 0.0516713 21.801859 21.801859 36.982304 70.538925 70.538925 107.095840 107.095840 134.365097 135.901031 135.901031 190.250732 193.716232 289.720612 289.720612 389.527618 439.576172 439.576172 517.016724 0.0530310 22.054626 22.054626 37.482838 70.545189 70.545189 107.693604 107.693604 134.119247 135.389938 135.389938 190.426712 193.620743 289.729370 289.729370 389.525299 439.575134 439.575134 517.034729 0.0543908 22.286070 22.286070 37.943806 70.551010 70.551010 108.268585 108.268585 133.890747 134.895676 134.895676 190.599213 193.522507 289.737457 289.737457 389.523163 439.574188 439.574188 517.051758 0.0557506 22.496014 22.496014 38.364201 70.556358 70.556358 108.815804 108.815804 133.680634 134.422821 134.422821 190.767853 193.421692 289.744812 289.744812 389.521210 439.573334 439.573334 517.067627 0.0571103 22.684294 22.684294 38.743073 70.561226 70.561226 109.329849 109.329849 133.489868 133.976410 133.976410 190.932144 193.318573 289.751465 289.751465 389.519409 439.572540 439.572540 517.082214 0.0584701 22.850767 22.850767 39.079556 70.565567 70.565567 109.804878 109.804878 133.319321 133.561920 133.561920 191.091507 193.213608 289.757355 289.757355 389.517822 439.571838 439.571838 517.095398 0.0598299 22.995304 22.995304 39.372852 70.569382 70.569382 110.234711 110.234711 133.169815 133.185211 133.185211 191.245041 193.107513 289.762482 289.762482 389.516418 439.571259 439.571259 517.107056 0.0611896 23.117794 23.117794 39.622265 70.572639 70.572639 110.612991 110.612991 132.852371 132.852371 133.042068 191.391434 193.001495 289.766846 289.766846 389.515228 439.570740 439.570740 517.117065 0.0625494 23.218142 23.218142 39.827183 70.575325 70.575325 110.933403 110.933403 132.569473 132.569473 132.936691 191.528519 192.897583 289.770447 289.770447 389.514221 439.570312 439.570312 517.125427 0.0639092 23.296270 23.296270 39.987099 70.577431 70.577431 111.189972 111.189972 132.342285 132.342285 132.854172 191.652527 192.799469 289.773224 289.773224 389.513458 439.569977 439.569977 517.132019 0.0652690 23.352119 23.352119 40.101612 70.578941 70.578941 111.377457 111.377457 132.175903 132.175903 132.794952 191.756729 192.713821 289.775238 289.775238 389.512909 439.569733 439.569733 517.136719 0.0666287 23.385647 23.385647 40.170441 70.579849 70.579849 111.491722 111.491722 132.074356 132.074356 132.759293 191.829666 192.652039 289.776428 289.776428 389.512573 439.569611 439.569611 517.139587 0.0679885 23.396826 23.396826 40.193401 70.580154 70.580154 111.530113 111.530113 132.040207 132.040207 132.747391 191.856583 192.628830 289.776825 289.776825 389.512451 439.569550 439.569550 517.140564