symbrklib

Usage: symbrklib [-s fraction] [element] [initial_structure] [final_structure]
Currently, the initial and final structures can be one of bcc,fcc,hcp.
The -s option (optional) indicates to just generate a small distortion (a given fraction along the 
                     instability path).
This command is intended to be run before robustrelax_xxxx


[email protected] Wed, Dec 6, 2023 12:55:16 PM