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How to assign different Basis sets to different atoms?
Siddheshwar Chopra
sidhusai@gmail.com
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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Fri Jan 3 '14 12:44pm
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