[CP2K-user] [CP2K:16950] Primer on preconditioner

Eric Ledieu eric.ledieu.science at gmail.com
Wed May 11 18:45:19 UTC 2022


Hello CP2K community!

I am trying to run some initial minimization for a small solvent system, 
and I was looking for good methodology. does anyone know of a good primer 
on what to do? I gather the OT section is the one to look at, but I am 
unsure as what parameters to pick and how to make that decision. thank you 
in advance for any help.

Eric Ledieu
-Grad student

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