[CP2K-user] How to choose orbital transformation (OT) method and geometry optimizer.

HB H haibe... at gmail.com
Sun Oct 4 02:33:45 UTC 2020

Dear users,

I noticed that in FORCE_EVAL/DFT/SCF/OT/ section, the "MINIMIZER 
can be for examples,  CG and DIIS.  So the question is if I chose CG during 
geometry optimization, should I also use CG optimizer in the 
"MOTION/GEO_OPT" section? Is there any consistence between CG in 


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