[Pw_forum] Bug in axsf generation?

[Jan Beck]

Gladly,

this is my third attempt at posting this reply, I cannot paste the
.axsf file or attach it, because its too large. The message bounces
back to me with a "moderator approval pending" message. I think
approval is still pending, so I apologize for making you download the
file from a 3rd party site:

http://rapidshare.com/files/153722255/data.axsf.html



 Thanks for taking the time,

 Jan Beck, TXL   Group El Paso, TX

To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID: <1223677354.23688.4.camel at walk.ijs.si>
Content-Type: text/plain

On Fri, 2008-10-10 at 08:23 -0600, Jan Beck wrote:
> I have an axsf file that I have generated with quantum espresso's cppp. I
> have checked with the specification of the axsf file format, and the
> output from quantum espresso is consistent with that.
> so the output seems to conform to the standard. However, as soon as I
> load the file with the command:
>
> xcrysden --axsf c6h6.axsf
>
> I get the following output

Please provide your c6h6.axsf file, and then somebody may help you.

Regards, Tone
--
Tone Kokalj <tone.kokalj at ijs.si>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel:
+386-1-477-3523 // fax:+386-1-477-3822)