Total dipole via LOCALIZATION - bug?

viki vi... at
Sun Feb 8 05:29:14 UTC 2009

Fawzi is there a way to calculate that delta_dipole without
reinstalling cp2k?
I was using

            &EACH 1

On Feb 4, 8:16 pm, Fawzi Mohamed <fa... at> wrote:
> On 4-feb-09, at 17:38, Fawzi Mohamed wrote:
> > At the moment there is a bug in the delta_dipole (due to get_results
> > returning the wrong value).
> The bug appears only if one calculates the dipole with several methods  
> MOMENTS and TOTAL_DIPOLE (or debug level)
> > It should be fixed shortly, and at the same time I will remove the
> > jumps from delta_dipole when one does a periodic calculation
> > (basically the only reason to have delta_dipole is not to have jumps,
> > so it only makes sense.
> > Fawzi

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