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

[Lorenzo Paulatto]

On Mon, December 10, 2007 20:20, zhs064 wrote:
> hi, all
>       I'm a novice of PWscf. 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.
>      Thank you very much!

Dear Victor,
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 remeber wich one
but it should be possible to guess it from the file extension.

To build the upf tools you have to "make upf".

I hope this helps, Lorenzo.

P.s. please sign your posts with full name and surname, and affiliation if
possible.

-- 
Lorenzo Paulatto
+39 040 3787 511
http://people.sissa.it/~paulatto/


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