[Wien] (no subject)

[Peter Blaha]

Did you execute irrep (probably for a non-symmorphic SG) ??

rm case.irrep    before    x spaghetti

Am 22.04.2019 um 10:56 schrieb Mansouri Tahar:
> Dear all,
> 
> I am running optimization of the Fe-Si structure under a cubic symmetry.
> 
> After performing volume cell optimization I tried to calculated the 
> electronic properties especially the band structure. Unfortunately I 
> have got the following error message:
> 
> ERROR: incorrect classes
> 
> 0.4u 0.0s 0:00.47 100.0% 0+0k 0+408io 0pf+0w
> 
> Please note that I have not included the magnetic properties of Fe in my 
> calculation.
> 
> Thank you for your help
> 
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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