[molpro-user] MRCI MORE OCCUPIED ORBITALS THAN BASIS FUNCTIONS

Yulia Kalugina amora at list.ru
Tue Mar 30 11:44:19 BST 2010


Dear Molpro Community,

I would be very appreciated if you help me to solve the following problem:
I couldn't run the MRCI calculation as there is a message: MORE OCCUPIED ORBITALS THAN BASIS FUNCTIONS

Thank you in advance, Yulia
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