Alex Granovsky
gran@classic.chem.msu.su
See the FMAXT keyword in the $statpt group of the keyword list section of the latest manual
Kind regards,
Alex Granovsky
On Mon Jan 18 '16 5:09pm, GrEv wrote
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>Dear Alex,
>Thanks very much for your replies to my previous posts.
>This post is about another problem I encountered performing a geometry optimization in DLC coordinates with four atoms having frozen Cartesian coordinates (they were frozen using the IFREEZ keyword). The optimization brakes with the error:
> -- GRADIENT OUT OF RANGE
> -- MAXIMUM ALLOWED FORCE (FMAXT) = 10.000
>What would one usually do to overcome such a problem? The opt method used is GDIIS.
>Thanks!
>Best regards,
>Evgeniy