Posted by Valera Veryazov on September 19, 2023 at 11:25:30:
In Reply to: orthoganality violated error posted by deepak on September 07, 2023 at 14:42:32:
It might be a result of 'foreign' basis set
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Subject:
if B is 1s22s22p1, what is Li?
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Comments: : It might be a result of 'foreign' basis set