self consistent convergence problem
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self consistent convergence problem
Dear Vasp users,
I am getting a problem in convergence for anti-ferromagnetic scf calculation.I am increasing my ECUT from 450 to 700.up to 650eV system converges very well, but at 700eV system is not converging.So can u suggest me whta should I do.
I am getting a problem in convergence for anti-ferromagnetic scf calculation.I am increasing my ECUT from 450 to 700.up to 650eV system converges very well, but at 700eV system is not converging.So can u suggest me whta should I do.
Last edited by leostorm10 on Wed Mar 23, 2011 12:02 pm, edited 1 time in total.
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Re: self consistent convergence problem
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