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

Jibiao Li li.jibiao at qq.com
Wed May 10 05:26:38 CEST 2023


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

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





 
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