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Re: MCSCF crashes, but no hint what went wrong

Alex Granovsky
gran@classic.chem.msu.su


Dear Bernhard,


you need to add the following option to your input file:

 $MCAVER multiw=1 $END



This option is required because you are using three (i.e., not two)
non-trivial wights in state-averaging procedure.
This option is documented in manual. Sorry for non-informative error
message.

Kind regards,
Alex Granovsky



On Sat Feb 18 '17 7:56pm, Bernhard Dick wrote
---------------------------------------------
>I am trying to find a conical intersection with state-averaged MCSCF. The job crashes after the CI and before MCSCF with the message

> ADDRESS 0x0054D49A HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

>what went wrong? I also noticed that DIRSCF=.TRUE. is ignored. I include the input and output files.

>best regards,
>Bernhard


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