[Wien] Asking again ~(-_-)~ ORB calculation error
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Mon Aug 11 20:44:00 CEST 2003
> After I removed "$" in if ( "$so" == "-so" && -s
> $file.dmatud ) from Tortsen's suggestion the error
> happends exactly the same as its before.
Add in the first line of runsp_lapw a -xf (instead of only -f).
This will print a lot of debugging information.
I expect your tcsh on the SUN does not accept the -s $file.dmatup
statement.
Since at present we do not use the crossterms (du) anyway, comment all
corresponding lines (from if to endif)
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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