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by tamas
Wed May 25, 2005 9:47 am
Forum: VTSTTools
Topic: dimer reorientation
Replies: 1
Views: 17257

dimer reorientation

Could anybody please let me know, how one can continue a previous
dimer run so that the initial orientation of the dimer be the same as
it was at the end of the previous dimer run? Is it enough to copy the
previous CONTCAR files to the POSCAR or shall I also include some flag
in the INCAR file in ...