[Wien] X dstart

[Peter Blaha]

Something is probably wrong with your struct file, but we don't know 
what without seeing it.

On 12/17/2012 12:42 PM, mourad boujnah wrote:
> Dear Peter and Wien2k users,
>
> I have always a problem in a supercell calculation in the case of space
> group 225 (Fm-3m), it tells me the following error in x dstart:
>
>   'ROTDEF' - no symmetry operation found.
>   'ROTDEF' - for jatom, index  17  18
>   'ROTDEF' - atomposition of jatom   0.1250000   0.1250000   0.2500000
>   'ROTDEF' - atomposition of index   0.3750000   0.3750000   0.7500000
>
>
> there is a solution?
> Thank you in advance and cordially
>
>
> --
> Mourad BOUJNAH
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Tel: _+212 __677316706_
> Email: _boujnah.mourad at gmail.com <mailto:boujnah.mourad at gmail.com>_
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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