[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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