[CP2K-user] [CP2K:19173] using .cif

[captain mus]

Hi Teodore

You can try to use Cartesian coordinate (i.e., xyz), what you have to do is
to transform the cif file to xyz using VESTA or Avogadro. Hope it help

Best
Saleh

On Fri, Aug 4, 2023 at 10:49 AM Teodora Kirova <tvkirova at gmail.com> wrote:

> Hi all, I am new to cp2k and have some questions.
> I am trying to use TOPOLOGY with a .cif file, which I got from the
> materials project.
> However the running process is aborted  ( see attachment). How can I fix
> that?
> Thanks!
>
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