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

[Terry Frankcombe]

Hi Yulia

While I don't know that it will help your problem, I do think that as
the geometry is C1 you don't really want:
occ,6,4,2
(there's only one symmetry).  Occ,12 maybe?


On Tue, 2010-03-30 at 14:44 +0400, Yulia Kalugina wrote:
> 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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