[molpro-user] NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND

[Qinghua Cao]

Hi, all,

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!

Qinghua
 		 	   		  
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