[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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: ch4n2MRCI.out
Type: application/octet-stream
Size: 9952 bytes
Desc: not available
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100330/0aaa42de/attachment.obj>
More information about the Molpro-user
mailing list