[Pw_forum] about Vanderbilt uspp

Yue-Wen Fang yuewen.fang at gmail.com
Sun Jul 23 11:21:56 CEST 2017

Dear all,

I downloaded the uspp-736.tar.gz, and got runatom.x through compiling in
*SOURCE*. However, I found only few elements were included in the directory
*WORK*, for example, the pseudopotential generation files for manganese
(Mn) was not found. Do I need prepare the generation files by myself for Mn?

On the other hand, when downloading the UPF files from the psudopotential
library of Quantum Espresso, we usually see such a note "Generated by
Vanderbilt code version 7.x.x". For instance, Mn.pbe-sp-van_mit.UPF
be found from the http://www.quantum-espresso.org/pseudopotentials/, and it
was "Generated by Vanderbilt code version 7.3.6". I guess these
pseudopotentials should also generated by the uspp-736.tar.gz or other
similar code, where can I find the generation files? Could you give some
comments? Thank you very much.

Best wishes
Yue-Wen Fang
Visiting academic, New York University Shanghai <https://shanghai.nyu.edu/>,
Phone: +86-18657193156 <186%205719%203156>
Skype: Yue-Wen FANG
Email: fyuewen at gmail.com;  yf1159 at nyu.edu
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