Dear Paolo,
How can I get psi(r) in cube format instead of
psi(r)??
regards
Fariba
> On Sun, 2013-03-03
at 12:12 +0330, nazari at iasbs.ac.ir wrote:
>
>> I nead
wave function in r mesh and cube format.
>> Where can I start
for obtaining it?
>
> pp.x produces |psi(r)|^2 in the
FFT grid, and also in a "cube"
> file. See
PP/Doc/INPUT_PP.*
>
> P.
> --
> Paolo
Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
>
http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> This message has been scanned for viruses and
> dangerous
content by MailScanner, and is
> believed to be clean.
>
>
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130304/ef58a4dc/attachment.html
