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Re: Problem with CI calculations

Alex Granovsky
gran@classic.chem.msu.su


Dear Maksim,

what is the version of Firefly you are using?

Kind regards,
Alex Granovsky


On Sun May 11 '14 11:40am, Maksim Shundalau wrote
-------------------------------------------------
>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?


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