[Wien] Relaxation
Hamid.Alaa
Hamid.Alaa at s.bk.tsukuba.ac.jp
Mon Jan 10 07:44:06 CET 2005
Dear WIEN2K users and Authors
Does any one know the answer of the following question
Whether WIEN2K can calculate the relaxation around the vacancies or not?
If yes please let me know, where is the new position of the atoms.
I have performed calculation for the oxygen vacancy in SrTiO3 and I want
to know
Does the result include the relaxation of the atoms around the
relaxation?
Thank you
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