[CP2K-user] Question about CELL_OPT

Monu Joy jo... at clarkson.edu
Sun Oct 18 22:36:10 UTC 2020

Hi there

I am relatively new in CP2K and I have a quick question regarding CELL_OPT.
If I run a CELL_OPT, does it mean that the cell and geometry are getting
optimized or just the cell is getting optimized...?

Monu Joy
Graduate Student & Teaching Assistant
*Functional Materials Design & X-ray Diffraction Lab (Office: CAMP 328)*
Department of Chemistry & Biomolecular Science, Box 5814
Clarkson University, Potsdam, NY 13699, USA

E-mail: jo... at clarkson.edu | Mob: +1 (315) 323-4313
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