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