Re: How to expand Basis


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Posted by Valera on February 07, 2011 at 18:51:02:

In Reply to: How to expand Basis posted by Joubert Doriol Loïc on February 07, 2011 at 18:39:30:

Expbas (currently) can handle only ANO-type of basis sets.

so, the only solution I can suggest in your case - visualize orbitals by 'GV' or molden,
and try to identify them according to your knowledge about the calculation with smaller basis set.



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if B is 1s22s22p1, what is Li?

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