[CP2K-user] [CP2K:19180] using .cif

[captain mus]

Hi. Theo

I think it is best if you provide more specific detail regarding what are
you trying to do, what is your input, what is the thing you have done, and
what is the  return output so perhaps the discussion can start smoothly. I
recommend you to check this documentation,

https://manual.cp2k.org/trunk/CP2K_INPUT.html

Best
MuS

On Mon, Aug 7, 2023 at 11:33 AM Teodora Kirova <tvkirova at gmail.com> wrote:

> The output file gives a message: "CPASSERT failed", which as far as I
> understand could mean anything.
>
> On Fri, Aug 4, 2023 at 12:03 PM Jürg Hutter <hutter at chem.uzh.ch> wrote:
>
>> Hi
>>
>> there should be more information in your output file that points to the
>> source of the error.
>>
>> regards
>> JH
>>
>> ________________________________________
>> From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Teodora
>> Kirova <tvkirova at gmail.com>
>> Sent: Friday, August 4, 2023 10:49 AM
>> To: cp2k
>> Subject: [CP2K:19173] using .cif
>>
>> 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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