[Wien] Error in LDA+U plus SO calculation

[Peter Blaha]

>         I am using WIEN2K_03 to do a LDA+U plusing SO calculation.
> First I do runsp_lapw -orb -p till it converged with WIEN2K_02 because
> we have just upgrated it to 03 version. And then I save_lapw and use 100atomfix
> to convert it, then runsp_lapw -orb -so -p. But it stopped within the first cycle
> with the following error:

I'm not completely sure, but most likely it is due to the presence of old
case.scfdm* files. (Maybe also due to old case.dmat* files).

rm *.scfdm*      and try again.

                                      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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