Is it possible to calculate wannier centers every 100 MD steps

Samuel Andermatt samuel.a... at student.ethz.ch
Tue Oct 14 08:39:45 UTC 2014


There is an EACH keyword in the PRINT%LOCALIZATION%WANNIER_CENTERS section.

On Monday, October 13, 2014 5:47:09 PM UTC+2, 姚懿 wrote:
>
> I mean I don't need to calculate the wannier centers every step. Is it 
> possible for me to have it calculated every 100 MD steps? It seems in 
> &LOCALIZE section there isn't an EACH command.
>
> Yi
>
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