[Wien] system- or usererror?

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Jul 23 22:33:35 CEST 2003


> After saving the lapw I then proceed to generate the Electron Density Plot. I
> edit EMIN in TiC.in2 from -9.0 to -1.0, run "x lapw2" and edit TiC.in5 to
> display the 100-plane. Recalculating the electron density with "x lapw5" the
> reproducably gives an "Address Error".

Maybe the case.in5 file has an error ?

Also have a look into case.clmval and check if you have nmbers and not ***
or other strange characters.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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