[Pw_forum] how to convert a pseudopotential with semi-core states generated by OPIUM to PWSCF UPF format?

[Paolo Giannozzi]

On Dec 10, 2007, at 22:06 , Lorenzo Paulatto wrote:

>> Does anybody know how to convert a pseudopotential with semi-core
>> states generated by OPIUM to PWscf UPF format? Are there some
>> programs for that or some suggestions.

> once I did it, so it is possible. You should use one of the ___2upf  
> tools
> that you can find in the upftools subdirectory, I don't remember  
> wich one
> but it should be possible to guess it from the file extension.

If I remember correctly, OPIUM can directly generate PPs in the old
PWscf "ncpp" format. It may be converted into UPF but it is not (yet)
necessary: PWscf still supports the old formats

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222