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)