[gpaw-users] : gpaw.KohnShamConvergenceError: Did not converge!

[Duy Le]

On Tue, Nov 9, 2010 at 10:31 AM, Yuelin Li <ylli at aps.anl.gov> wrote:

> I have a simple script but could not find how to make the calculation
> converge. When encountering such problem, what is the general way to get
> around it?

There should be plenty of tips here:
https://wiki.fysik.dtu.dk/gpaw/documentation/convergence/convergence.html#convergence


> Thanks.
> ------------------------------------------

--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"
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