[CP2K:1462] how to avoid repeated printout of step 0 with wannier centers
Laino Teodoro
teodor... at gmail.com
Sun Oct 19 07:24:23 UTC 2008
can you please post a quick and fast input that shows the problem?
(it is enough a water molecule..)
Thanks!
teo
On 19 Oct 2008, at 04:43, Axel wrote:
>
> hi again,
>
> another question related to localization. i noticed that the wannier
> center coordinates
> are always printed in the zeroth step of a continuation of an MD, i.e.
> on re-converging
> the wave function after a restart. is there a way to avoid this?
>
> thanks,
> axel.
> >
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