How to create a visualization of the CHGCAR file on top of the POSCAR structure file in Vesta?

15 February 2023 1 4K Report

Hi,

recently I made the file in the attachments. I would like to do the same again but I forgot how to do it. I've already tried downloading the OUTCAR and CHGCAR file from my MD simulation, but when I open the file I get an empty box as output. Is there anyone how to create this figure? It shouldn't be too hard I guess.

Thanks in advance,

Asiyeh Shokri

Are you sure your calculations are coverged? CHGCAR will be set at the end of the calculations and if you open this file before the convergence it would be empty.

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