[Wien] Error while making super cell

[Peter Blaha]

Probably "normal" behavior. sgroup has found a particular symmetry for 
your supercell with the replaced atom and msot likely you should accept 
the struct file coming from sgroup.

Am 14.04.2017 um 12:11 schrieb GM RAI:
> Dear Wien2k user,
>
> Kindly guide to overcome below error, during super cell of CoNiTi. I
> want to doped 25% Co with Ni. I set 1x1x4 and replace one atom of Ni out
> of 4.
>
> Regards
> warning: !!! Number of inequivalent atoms has changed. !!! Old value= 8
> New value= 5 warning: !!! Bravais lattice has changed.
> sgroup found: 123 (P 4/m m m)
> --
> Dr. G. Murtaza
>
>
>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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