[molpro-user] NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND
yy575557 at hotmail.com
Sun Mar 30 21:21:35 BST 2014
I'm doing a state-averaged CASSCF calculation and the calculation is termined by this error "NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND". Only when i reduced the number of states, the calculation can go on successfully. But since i'm interested in only the high-lying states, more states must be included. I have tried to increase the pspace card to 1 or 10 and it hasn't worked. Any suggestions?
Thanks a lot in advance!
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Molpro-user