[Pw_forum] Convergence problem about AFM total magnetization?

Prof. Sushil Auluck sauluck at iitk.ac.in
Mon Jun 2 12:41:05 CEST 2008


hi,
if you make the convergence criteria more stringent you will get moment
very close to zero. i.e. if your convergence ws 0.001 then make it 0.0001
or even smaller.
s.auluck


> Dear all,
> I had a question about the convergence problem of AFM total magnetization.
> The situation is the AFM total magnetization supposed to converge to
> "0" value.
> But the output file show "0.01" or "-0.01" value.
> I wondered to ask how to improve the situation like that ?
>
> Thanks a lot!
>
> Bing-Hong Chen, National Taiwan University, Taiwan
>
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