[CP2K-user] [CP2K:21897] how to convert the xyz file to cif

[Alex Espinoza]

I used Vesta. I uploaded and did File > Export data > CIF. Hope this helps

On Tue, Oct 14, 2025 at 12:50 AM Uzma Sattar <uzmasattar500 at gmail.com>
wrote:

> Dear cp2k team.
> i optimized the structure using the xtb method and log file is in xyz
> format.i cannot convert it into cif file or crystal structure.please help
> me to do that ,the strucutre file is attached.
>
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