24 February 2022 0 8K Report

Hi All,

I am using QE to do bader analysis. I Have generated the necessary files by using "http://theory.cm.utexas.edu/henkelman/code/bader/". But my question is this code gives bader charge file for individual atoms in the format of "BvAt*.cube". And these files can be opened with VESTA. But I want a single file instead of an individual atom file. Is there any way to club them so that I can visualize bader charges of all atoms using one file?

I hope the question is clear.

Thanks

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