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Question on the surpercell size
Posted: Wed Sep 05, 2012 10:48 am
by xskong
Can vasp calculate the tungsten defect cluster using the 1024 supercell size and 1*1*1 K-point?
Question on the surpercell size
Posted: Wed Sep 05, 2012 11:19 am
by boris
It should.
Question on the surpercell size
Posted: Tue Sep 11, 2012 8:27 am
by vistawanted
I think the supercell size is not a barrier in ab-inito area, the only problem should be the power of your computational resource~