[Pw_forum] how to convert a pseudopotential with semi-core states generated by OPIUM to PWSCF UPF format?
giannozz at nest.sns.it
Mon Dec 10 22:47:35 CET 2007
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
> 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 Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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