[gpaw-users] Re: Ionic convergence
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Thu Apr 15 09:28:10 CEST 2010
On Wed, 2010-04-14 at 14:30 -0500, Daniel Torres wrote:
> Here the py file again with the error output.
Version 0.6 does not do forces for non-orthogonal unit cells - you need
the development version.
JJ
> Best regards
> Dani
>
> El Tuesday 13 April 2010 14:55:39 escribió:
> > Guys!
> > the python file attached fails before starting the ionic convergence. Maybe
> > you could gimme a hand with that.
> > Thanks in advance and best regards
> > Dani
>
>
>
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