> Dear Dr. Verissimo Alves!
Czesc, pre-Dr. Natanzon :)
>
> Thank you for your answer.
Prosze.
> Unfortunately, It is not clear for me,
> where to find core radii.
You can hack into the fhi98pp code (downloadable from
http://www.fhi-berlin.mpg.de/th/fhi98md/download/fhi98PP.zip) and look for
th
Dear Dr. Verissimo Alves!
Thank you for your answer. Unfortunately, It is not clear for me,
where to find core radii. For example, this is exactly the pseudo I
need:
ftp://ftp.abinit.org/pub/abinitio/Psps/GGA_FHI/40-Zr.GGA.fhi
And the corresponding ini file:
ftp://ftp.abinit.org/pub/abinitio/Psp
> Hello, SIESTA users!
>
> I'd be grateful if any of you can provide me a good GGA
> pseudopotential for Yttrium (Y), and also for Zirconium (Zr).
>
> There are some at ABINIT web page, but I don't know how to convert
> those pseudos to SIESTA psf/vps format. Is there any software for
> doing it?
>
Hello, SIESTA users!
I'd be grateful if any of you can provide me a good GGA
pseudopotential for Yttrium (Y), and also for Zirconium (Zr).
There are some at ABINIT web page, but I don't know how to convert
those pseudos to SIESTA psf/vps format. Is there any software for
doing it?
--
Yurko Nata
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