[xcrysden] Crash on vc-relax output

Tone Kokalj tone.kokalj at ijs.si
Mon Oct 13 19:53:38 CEST 2008


On Mon, 2008-10-13 at 18:02 +0200, Marino Vetuschi Zuccolini wrote:
> Dear Tone,
> here enclosed you can find an error following an attempt of download  
> of a pwscf output (optimized coordinates, vc-relax on supercell). Does  
> you can understand how it is possible to see the structure? I think  
> this error is related to the fact that it is a super cell. Is it?

No, supercell does not matter at all. xcrysden is "stupid" and does not
know about supercells, it considers anything as a unit cell ...

Please post your pwscf output file, only then I may help.

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)



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