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Re^2: Problem in Geometry optimization

Alex Granovsky
gran@classic.chem.msu.su


Dear Arshad,
Dear Thomas,


>Some additional comments:
>- NCONV is specified twice. I expect that NCONV=7 in your case would be fine.

Just a short comment. If a scalar variable is specified several times,
the last declaration would be used.

Kind regards,
Alex Granovsky

[ This message was edited on Sun Sep 22 '13 at 1:24am by the author ]


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