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Is there a way to convert psp8 pseudopotential files (used for abinit) to UPF format (used for Quantum ESPRESSO)? I noticed there is the upfconv.x utility in Quantum ESPRESSO but it does not support psp8 files.

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  • $\begingroup$ +1 and welcome to our new community! Thank you so much for contributing your question here and we hope to see much more of you in the future !!! $\endgroup$ Jul 29 at 20:29
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    $\begingroup$ Related, though not a duplicate: mattermodeling.stackexchange.com/questions/1369/…. Camps' and wcw's answers suggest general interconversion tools for pseudopotentials are uncommon, but there are tools to generate a new file semi-manually using the information from another format. $\endgroup$
    – Tyberius
    Jul 29 at 21:35
  • $\begingroup$ @fgoudra was the suggestion by Tyberius to do it semi-manually helpful? If you do it that way, please write an answer here so that it can be helpful for future users of the site! $\endgroup$ Aug 2 at 5:41
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    $\begingroup$ @NikeDattani so far I didn't have any luck with the suggestion however it seemed to be very helpful. If I find an answer I'll post it $\endgroup$
    – fgoudra
    Aug 8 at 2:00

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