[Wien] [Wien2k Users] Error in Internal Coordinates minimization

pieper pieper at ifp.tuwien.ac.at
Thu Mar 18 13:08:39 CET 2010


And what does your c ae.inM look like? Are there messages in the
w2web-window during initializatio of mini saying, that there were problems
constructing inM? 

Best regards, Martin

On Wed, 17 Mar 2010 18:38:27 +0530, "Ghosh SUDDHASATTWA"
<ssghosh at igcar.gov.in> wrote:
> Dear Wien2k Users, 
> 
> I have taken the default command line generated during structure
> minimization 
> 
> My command line for minimization was 
> 
> Min -j 'run_lapw -l -i 40 -fc -1.0' 
> 
> I got the error 
> 
>  
> 
> "MINI: error in reading inM
> 
> MINI: check if 4 parameters per atom given" 
> 
>  
> 
>  
> 
> Suddhasattwa

-- 
Dr. Martin Pieper
Karl-Franzens University
Experimentalphysik
Universitätsplatz 5
A-8010 Graz
Austria
Tel. +43-1-58801-13132
+43-316-380-8564


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