[Wien] DIR WRONG

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Apr 28 21:52:38 CEST 2005


Your x and y directions are not orthogonal, so the program stops.
Check your first 3 lines of case.in5 (or use xcrysden to generate this 
file).
> In order to get Electron density plot, I am trying "x lapw5". But it
> gives me "DIR WRONG" It never happened for the former case.
> 
> What should I do? Any comments and suggestions are very helpful.
> 
> Many tahnks in advance,
> 
> Hiromasa Kaibe
> Komatsu Ltd.,
> 1200 Manda, 
> Hiratsuka Japan
> hiromasa_kaibe at komatsu.co.jp
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


                                      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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