[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
--------------------------------------------------------------------------
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/
--------------------------------------------------------------------------
    
    
More information about the Wien
mailing list