I set ISIF=3, ISMEAR=1, ENCUT=500, still, after I put some atom in a quite dense structure, the volume not change at all, it is abnormal...somebody tell me is there any other parameter I could change???
Thanks!!!
cell volume not relax
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tragody
cell volume not relax
Last edited by tragody on Thu Aug 18, 2011 1:35 am, edited 1 time in total.
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support_vasp
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Re: cell volume not relax
Hi,
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