07 December 2021 1 2K Report

Dear all,

I am working on CeO2 using Quatnum Espresso code recently. Some papers do the calculation using Vanderbilt ultrasoft pseudo-potential for Cerium. However, I cannot find the pseudo-potential file on their website.

1. Can anyone provide some tips in generating the Vanderbilt ultrasoft pseudo-potential for Cerium?

2. Can I use the rrjkus potential in the PSLIBRARY recommended by QE to replace the Vanderbilt ultrasoft pseudo-potential for Cerium?

Thanks~

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