[Wien] A quick question about the force convergence

[Laurence Marks]

Your question is ambiguous. What force convergence are you refering
to, PORT/MSR1a/-fc ?

On Thu, Jan 23, 2014 at 3:58 PM, Hu, Wenhao <wenhao-hu at uiowa.edu> wrote:
> Dear all:
>
> I have a quick question about the force convergence which I can't find an answer anywhere in the user guide. I wonder whether the force we're talking about here is the largest force on a particular atom in the unit cell or some other force. The reason why I propose this question is that I found the forces on some atoms are way larger than 0.5 mRy/a.u. even after the calculation reached the convergence.
>
> Thank you in advance for any helpful advises.
> Wenhao
>
>
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi