IRC with Turbomole

[Gopakumar]

I was wondering whether it is possible to do an IRC calculation
with Turbomole? Is it implemented in the latest version?
Thanks in advance for all suggestions and comments

regards

-Gopakumar

[christof.haettig]

The answer no.
You can TURBOMOLE for computing the energies, but you need an external program to generate the coordinates for the IRC

Christof

[Gopakumar]

Hi, many thanks for the reply.

Could you suggest a program that can generate coordinates for IRC so that
I can use that with turbomole.

thanking you

-Gopakumar

[christof.haettig]

Contact the people at COSMOLogic. Maybe they can help you with the IRC.
Christof