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Re^2: "Fatal error in MEMCI" while starting (16,16) or larger AS in CASSCF

Roman Kroik
chemistnn@gmail.com

>Dear Roman,

>Could you post some more details on your calculation, preferably the input and output file? Without any details it is hard to say what is going wrong in your calculation.

Ok. I'm attaching input and output files for CASSCF(24,20) calculation. If I use CASSCF of (16,14) and less dimension, calculation proceeds without this error. Maybe, files will help in solving a problem, but I think there is a problem of some general nature.


This message contains the 163 kb attachment
[ 35Q_CASSCF_S0.inp ] CASSCF input

[ This message was edited on Tue Mar 26 '13 at 7:26pm by the author ]

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