[CP2K-user] [CP2K:19175] using .cif

[Teodora Kirova]

Hi Saleh and Jürg,thank you for the fast replies, I will try your
suggestions!
Teodora

On Fri, Aug 4, 2023 at 12:00 PM captain mus <captainmozak at gmail.com> wrote:

> 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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