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Problem with CI calculations

Maksim Shundalau
m.shundalau@gmail.com


Dear colleagues,
I have a problem with CI calculations: with options cityp=guga (in $contrl), iexcit=2 (in $cidrt) and nstate=2, 3, etñ. (in $gugdia) I get in output file next message:

 MXMPRV .GT. MXGUES IN EDGUES IN GUGDGA.SRC
 MXMPRV IS THE MAXIMUM NO. OF VECTORS TO SIMULTANEOUSLY IMPROVE
 MXGUES IS THE MAXIMUM NUMBER OF INITIAL GUESS BASIS VECTORS
 MXMPRV IS 2
 MXGUES IS 1
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sun May 11 11:24:57 2014

Could you explain how to solve this problem?

[ This message was edited on Sun May 11 '14 at 11:40am by the author ]


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