volume relaxation
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volume relaxation
By doing volume relaxations in a plane wave basis set Pulay stresses will occur (also according to the manual). How come that I read none in all my OUTCAR files? Do mind that full volume relaxation does take place, I checked on that. Does anyone has an answer to that?
Last edited by freshwind on Wed Aug 07, 2013 10:34 am, edited 1 time in total.
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- Global Moderator
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Re: volume relaxation
Hi,
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