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