This description explains how to build the input files for Quantum Espresso in order to obtain the charge density, then from the output file transform the charge density into a .xyz format and finally combine the four parts in order to have the density for a nanotube ring. It is then also possible to extract information from the visualization, using an other code that allows to determine the thickness of each charge density region. The different steps will be explained and the final result will also be shown.
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Remark 2 : These pages were prepared for tamnun.technion.ac.il .
Remark 3 : A tar file with all the figures presented in this document can be downloaded here :