Alex Granovsky
gran@classic.chem.msu.su
Analytic CPCM gradient are not currently programmed while gradients
are required for geometry optimization. You either need to optimize
a geometry using DPCM (for which analytic gradients are available)
or using numerical gradients.
Kind regards,
Alex Granovsky
On Tue Oct 8 '13 6:04pm, Arshad Mehmood wrote
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>Dear members,
>I am trying to optimize the geometry of a molecule using CPCM ($PCM PCMTYP=CPCM SOLVNT=CH3OH $END), but check run ends with:
>*** INCONSISTENCY FOUND IN $PCM INPUT GROUP ***
> GRADIENT RUN REQUIRES DPCM
> PLEASE FIX THE ABOVE ERROR(S) IN $PCM
>Can any body help me? As I know CPCM in implemented in Firefly v. 8.0.0. As per:
>http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea902bHW-8385-487+00.htm
>Waiting your response.
>Regards,
>