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[lbo@ustc.edu]

Dear All,

I am trying to optimize the lattice structure of defective supercell 
including lattice constant and atomic positions. In some cases, in order to 
decrease the calculation time, I just want to relax the first or second 
nearest-neighboring atomic positions around the defect and keep other atomic 
positions fixed. I wonder if there are input variables for this purpose.

Thanks in advance!

Bo Liu
Physics of Physics
Univ.of Sci.and Tech. china