[molpro-user] Aims help
Andy May
MayAJ1 at cardiff.ac.uk
Thu Apr 17 11:31:32 BST 2014
Satyam,
The aims interface is developed and maintained by the group of Todd
Martinez, if the documentation on creating the input for Molpro:
http://www.molpro.net/info/2012.1/doc/manual/node379.html
doesn't help then I suggest to contact them directly for assistance.
Best wishes,
Andy
On 17/04/14 11:04, Satyam Srivastava wrote:
> Hello,
> I am using aims program in molpro. Can any one tell me How to generate
> FrequenciesMp.dat and Hessian.dat file. I have made but it is giving
> error.I am attaching that file and is it possible to make Frequencies.dat.
> Thanx in advance
>
> Yours
> Satyam Ravi
>
>
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