[Wien] About isplit!!

[Peter Blaha]

With this little information we cannot really help.

Please check the error files, the output files (error was in lapw2, so
check case.output2*), the case.dayfile and case.scf.

grep :DIS case.scf
If this gives increasing values, most likely the scf cycle diverged because
of too large mixing.

in this case reduce mixing in case.inm (e.g. to 0.1), rerun
x dstart
rm *.broy*
rm case.scf
run_lapw


> I have a trouble with the following error; this error happens in the
> middle of SCF cycles running, for example 4th or 5th cycle.
> ------------------------
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP  LAPW1 END
> STOP  LAPW1 END
> STOP  LAPW1 END
> STOP FERMI - Error
> cp: .in.tmp: A file or directory in the path name does not exist.
> rm: .in.tmp: A file or directory in the path name does not exist.
> rm: .in.tmp1: A file or directory in the path name does not exist.
> ------------------------
>
> I searched UG and all the emails in this forum; I found that this kind
> of problems were reported already and discussed by several users BUT
> none of them suggests any working solution... If anyone solved this
> problem successfully, it will be very nice to post your ideas in this
> forum. Thanks in advance.
>
> Sampyo
>


                                      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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