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Hi Lance,
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<div class="">The cube files can be opened and visualized with a wide range of atomistic visualization software. I use VMD (<a href="https://www.ks.uiuc.edu/Research/vmd/" class="">https://www.ks.uiuc.edu/Research/vmd/</a>), but I think also XCrysden and Vesta
would work, to say a few. </div>
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<div class="">Coming to what is inside the files, there is no documentation right now. On the other hand, the names of the files should provide a reasonable guess on what is inside: electrons.cube contains the electronic density. polarization_density.cube contains
the polarization density of the dielectric medium. charges.cube contains the density of all charges of the system (including electrons, nuclei, external charges). </div>
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<div class="">The structure of the files is very regular, as you would discover by a quick google search of "cube file format" <a href="http://paulbourke.net/dataformats/cube/" class="">http://paulbourke.net/dataformats/cube/</a></div>
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<div class="">Once you know how the inside is organized, it does not take too much effort to design a tool to extract data along a certain axis/plane/etc. Maybe some of these tools are already available online.</div>
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<div class="">Hope this helps,</div>
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Oliviero Andreussi<br class="">
--<br class="">
Assistant Professor<br class="">
Department of Physics<br class="">
University of North Texas<br class="">
<a href="mailto:oliviero.andreussi@unt.edu" class="">Email: oliviero.andreussi@unt.edu</a> </div>
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Phone: +1-(940)-369-5316<br class="">
Skype: olivieroandreussi<br class="">
Web: <a href="https://sites.google.com/site/olivieroandreussi" class="">https://sites.google.com/site/olivieroandreussi</a></div>
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<div class="">On Feb 8, 2019, at 4:50 PM, Lance Kavalsky <<a href="mailto:lance.kavalsky@mail.utoronto.ca" class="">lance.kavalsky@mail.utoronto.ca</a>> wrote:</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">Hello all,</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">I have been using Environ 1.0 with QE 6.2.1.</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">When setting verbose to 2 in environ.in various cube files are generated (polarization_density.cube, charges.cube, etc..).</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">Looking through the documentation I cannot seem to find descriptions for these cube files (e.g. what data is included in electrons.cube?)<span style="font-size: 12pt;" class="">.</span></div>
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</span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">Is there anywhere I can read up more on the exact details regarding the data included in each of these files? Also, does anyone have any recommendations for plotting
these files?</span></div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">Any guidance would be much appreciated.</span></div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">Thanks,</span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">Lance Kavalsky</span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">University of Toronto</span></div>
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