[QE-users] R: Convert pseudo from fhi to upf format

[Pietro Davide Delugas]

Hello
There is now a single program called upfconv.f90 inside the upflib directory. It should work for all old formats.
If you have compiled pw or one of the other main tags of the Makefile, you should find the executable in the upflib directory. Otherwise, you can compile it directly with

make libupf

Best regards
Pietro
________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di Jibiao Li via users <users at lists.quantum-espresso.org>
Inviato: mercoledì 10 maggio 2023 05:26
A: users <users at lists.quantum-espresso.org>
Oggetto: [QE-users] Convert pseudo from fhi to upf format


Dear ALL,

I want to convert pseudo from fhi to upf format. I searched the mailist and it suggested that fhi2upf.x serves the purpose. However, I can not even find upftools in the recent release of QE. How can I compile the code to generate fhi2upf.x? Any other method to convert pseudo from fhi to upf format?

Can anyone show me the answer?


Thank you very much!


Regards

________________________________

Jibiao Li

Department of Materials Science and Engineering

Yangtze Normal University

Juxian Avenue 16, Fuling, Chongqing, China 408100

Scopus Research ID: 54944118000<https://www.scopus.com/authid/detail.uri?authorId=54944118000>

Web of Science Research ID: http://www.webofscience.com/wos/author/record/GLS-7259-2022

<https://publons.com/researcher/2283103/jibiao-li/>


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