[molpro-user] C4v symmetry

[Grant Hill]

Dear Ashwani Kumar Tiwari

Section 16.2 of the Molpro manual [1] details how to specify symmetry in
your input file. You should however note that only Abelian point groups
are implemented, so C4v will not be available.

Regards,


Grant Hill


[1]
http://www.molpro.net/info/current/molpro_manual?portal=user&choice=User
%27s+manual


On Mon, 2006-12-18 at 12:52 +0530, Ashwani Kumar Tiwari wrote:
> Hello All,
> Can anyone please tell me how to specify C4v symmetry in molpro input file.
> Thank u.
> with regards
> 
> 
> Ashwani Kumar Tiwari
> Research Scholar
> C/O Prof. N. Sathyamurthy
> Department of Chemistry
> IIT Kanpur
>