[DFTB-Plus-User] Error in AppendGeometries

[101981000]

I’m running DFTB+ version 21.2 . I have the following in my input file, but
all geometry optimization steps are not written in the output. Could you
please let me know what the problem is and how I can extract all the steps
of optimizations in a single xyz file? Thanks.





Driver = GeometryOptimization {

MovedAtoms = 1:-1

MaxSteps = 400

OutputPrefix = "geom.out"

AppendGeometries = Yes

}


Hamid

Iran

tarbiat modares university
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