[CP2K-user] [CP2K:21898] how to convert the xyz file to cif

[Uzma Sattar]

Thankyou for your response. But you see there the structure exist at the 
center of the cell.it does not touch the boundary of the cell and when i 
built supercell from this unit cell no bonds formed between the unit 
cells.please let me help to resolve this issue.Thankyou


On Tuesday, October 14, 2025 at 9:20:44 PM UTC+8 Alex Espinoza wrote:

> 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 <uzmasa... 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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