[CP2K-user] Atomic Coordinates
ahadal... at gmail.com
ahadal... at gmail.com
Fri Mar 1 04:13:07 UTC 2019
Dear cp2k users,
I am working on copper ferrrite to calculate various things by using cp2k.
The issue is that I am getting different atomic coordinates in different
software like Vesta, Avogadro, Mercury and many more by using same cif file
(attached). Can any one tell me which one is better for atomic coordinates.
Or i am doing something wrong.
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