[CP2K-user] Creating defects in a crystal

Jeya Vimalan jeyavi... at gmail.com
Mon Aug 3 02:16:21 UTC 2020


Hi all,

Are there any scripts available that can create possible defects in a
crystal  (preferred input in a cif file) in an automated way.
If so, can you please share/point it out.

Best,
Vimal
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