GrEv
grevgen13@gmail.com
I have a large complex of 90 atoms which I want to optimize partially, freezing 60 atoms, and I want to use automatic DLC for optimization. When freezing the 60 atoms with IFRZAT(1) in $ZMAT I faced a problem in form of the following error:
ERROR: UNABLE TO PROJECT DLC!
This might have to do with freezing so many distances (between all 60 atoms) because when I reduced the number of frozen atoms to 10 the job went running. However, I would like to do freeze 60 atoms. How could I do this? Thanks!
Best regards,
Evgeniy
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