[Wien] PGFIO!!

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Mon Jun 30 09:04:32 CEST 2003


> In addition, I found the  "***********" occured in the case.vnsdn instead of the data .

I do not quite understand how you could run    lapw1   without error,
but have a crash in lcore ?

case.vnsdn should not have been modified in between.

Anyway, rerun    x lapw0 which should create a new vnsup/dn file. Check if
the ****** are gone.

If not, the problem is already in the clmsum file. Check this too!!
Or try copying clmsum_old to clmsum and   x lapw0.

After those "tricks", do not forget to remove *.broy*

Regards

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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