[Pw_forum] PP Generation/Conversion for Si

[Danilo Neuber]

On Wed, 1 Oct 2003, Paolo Giannozzi wrote:

> actually you can use the pseudopotential file produced by "trou"
> with no further conversion. If you want to convert it to upf format
> (which I recommand),  use "ncpp2upf". Converting twice as you
> did should also work, though, but the probability of making a
> mistake increases at each conversion ...

Both the original PP file from 'trou' as well as the file converted using
ncpp2upf work fine for me - thank you very much!

Danilo

-- 
Dipl.-Ing. Danilo Neuber <neuber at itp.tu-graz.ac.at>

Technische Universität Graz               Telefon: +43 / 316 / 873 - 8188
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