[Pw_forum] write a xsf file using pwi2xsf.sh

Tone Kokalj tone.kokalj at ijs.si
Fri Feb 10 16:37:05 CET 2012

On Thu, 2012-02-09 at 13:00 +0000, dt378 at bath.ac.uk wrote:
> I have just started to use Espresso so I apologise if my question is a  
> bit silly.
> I would like to convert my input file in a xsf format but I can't.
> This is the error it punch out:
> "
> chpc-aw7:zns davidetiana$ ~/espresso-4.3.2/pwtools/pwi2xsf.sh zns1.in
> At line 426 of file pwi2xsf.f
> Fortran runtime error: End of file

You compiled the pwi2xsf.f with new version of gfortran (e.g.
gfortran-4.6), right? It does not compile properly. 
The code was adopted in the "failing" part. I attach the corrected
pwi2xsf.f file.

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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: pwi2xsf.f
Type: text/x-fortran
Size: 15781 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120210/9068d21d/attachment.bin>

More information about the users mailing list