[Wien] Lapw1.error!

[Peter Blaha]

In most cases this means that you have defined two atoms at the same 
position!
>      When i compute a supercell with 64 atoms, i encounter such a problem-
>      lapw1.error:
>           Cholesky INFO=7178
>           'SECLR4'-POTRF(Scalapack/LAPACK) failed.
>      Please help me!
> yours
> DW Liu  


                                      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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