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Frequencies and GEOVAR keyword
The use of the GEOVAR keyword in
combination with a Frequencies run implies that constraints may be applied to
the displacements, even if no coordinates are explicitly frozen. If different
coordinates are connected to the same variable in the GEOVAR block, only combined
displacements of the atoms will be allowed that correspond to a small change in
the GEOVAR
variable. For this reason, the combination of the GEOVAR and Frequencies keywords is to be handled
with extreme caution. If no constraints are intended, it is recommended not to
use the GEOVAR
keyword, but to use DEFINE
instead, or to specify the coordinates explicitly
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