hi, everyone, when setting the ionic convergence, energy or force, which one should we better choose?
Sometines, when the energy is converged the force is still 0.09 eV/ang or more.
And EdIFFG=-0.01 is accepted considering force as convergence.
Can you give me some suggestions? Thank you so much! &|
<span class='smallblacktext'>[ Edited ]</span>
About EDIFFG, energy or force?
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lgxyz
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About EDIFFG, energy or force?
Last edited by lgxyz on Fri Sep 17, 2010 12:19 pm, edited 1 time in total.
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support_vasp
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Re: About EDIFFG, energy or force?
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP