[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
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