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

[HB H]

Dear users,

I noticed that in FORCE_EVAL/DFT/SCF/OT/ section, the "MINIMIZER 
<https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCF/OT.html#list_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 
"FORCE_EVAL/DFT/SCF/OT/" and "MOTION/GEO_OPT" section?

Thanks!
Haibei


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