Specifiying point group of isolated system
Natalie Austin
natalie... at gmail.com
Tue Mar 29 15:40:55 UTC 2016
Hello,
The structure I am investigating is not the most stable isomer of the type
of system I'm looking at, as a consequence during the optimization process,
the structure starts to deform. I wanted to know if it is possible to
constrain the point group symmetry of an isolated structure in a
nonperiodic box in CP2K?
Natalie
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