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Re: How to assign different Basis sets to different atoms?

Alexei Popov
alexei.a.popov@gmail.com


Hello,

you should directly specify basis sets in $data group on per atom basis.

regards,
Alexei

On Fri Jan 3 '14 12:44pm, Siddheshwar Chopra wrote
--------------------------------------------------
>Dear Sir,
>I am working on Graphene. I want to replace C atoms by heavier atoms. I want to use specific basis set for specific atoms. Please tell me how to do it and I would be grateful if you send me a sample input file for the same. I wish to run HESSIAN jobs.

>Regards,


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