Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Sat Jan 4 '14 5:04pm, Alexei Popov wrote
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>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
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>>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,