[CP2K-user] [CP2K:21896] how to convert the xyz file to cif

Uzma Sattar uzmasattar500 at gmail.com
Tue Oct 14 02:09:08 UTC 2025


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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