[Pw_forum] xsf to pwscf input

[Peter Dunne]

Here is a slightly modified version to deal with supercells. It also
includes two sed lines to replace Z values for Zn and O, change as is
needed Payam.

Best regards,
Peter.
---
Peter Dunne
IFW Dresden,


On 27 January 2012 12:28, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Wed, 2012-01-25 at 18:54 -0600, Payam Norouzzadeh wrote:
> > Hello QE users
> > Is there any way,software,.. to convert xsf file formats(readable by
> > Xcrysden) to input file for PWSCF( just crystal structure and atom
> > coordinates)?
>
> I noticed I have a shell script that does the job. Regards, Tone
>
> --
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
>
> Please, if possible, avoid sending me Word or PowerPoint attachments.
> See:  http://www.gnu.org/philosophy/no-word-attachments.html
>
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>
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