[Wien] (no subject)

[Peter Blaha]

>   I calculate a large system. In the initialion, all sees ok except the
> symmetry.
> In the case.outputs. There are some informations like this:
>
>   DETERMINATION OF POINTGROUP FOR ALL POSITIONS
>   ........................
>   .........................
>   .........................
>  H 26      :  16 Atoms, Index 993 to ***
>  H 27      :  16 Atoms, Index *** to ***
>  H 28      :  16 Atoms, Index *** to ***
>  H 29      :  16 Atoms, Index *** to ***
>  H 30      :  16 Atoms, Index *** to ***
>  H 31      :  16 Atoms, Index *** to ***
>  H 32      :  16 Atoms, Index *** to ***
>  H 33      :  16 Atoms, Index *** to ***
>  H 34      :  16 Atoms, Index *** to ***
>  number of atoms: ***
>  ...............................
> That seems during the DETERMINATION OF POINTGROUP ,only the number of atmo
> below 1000 can be outputed correctly. But this seems not to affect the next
> lsart or dstar. I am not sure about it. Can I can neglect it safely?

Yes, I think you can neglect it savely.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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