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A Strange Convergence Problem

Posted: Thu Jan 31, 2008 3:48 pm
by suza
Dear All,
I'm getting a peculiar Convergence Problem in scf total energy calculation.
An INCAR file with tag "ISPIN=2" gives excellent convergence just
within 30 iterations
whereas the same file with ISPIN=1
does not converge at all even after 300 iterations and total energy
keeps on oscillating. Any helpful comment will be appreciated.

Re: A Strange Convergence Problem

Posted: Wed Sep 11, 2024 1:41 pm
by support_vasp

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.

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VASP