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Is optimization in DLC with some frozen Cartesian coordinates possible?

GrEv
grevgen13@gmail.com


Dear All,

I wonder if one can do optimization in DLC coordinates having a few frozen
Cartesian coordinates. From the manual it is unclear if it is possible
or not. I tried to specify a few frozen Cartesians using IFREEZ (NZVAR=1)
but it didn't seem to work. Only a part of the frozen Cartesians specified
with IFREEZ got frozen. I have no idea why it worked like that.
I would appreciate very much some clarification.

Best regards,
Evgeniy


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