Hints for a better convergence with transition metals

[Henrique Junior]

Hello, dear colleagues, I’m getting started with CP2K because I’m facing my 
first tasks dealing with solid state chemistry. Mostly, my work involves 
coordination compounds with transition metals and lanthanides (usually 
paramagnetic).

Could you, please share your general hints to achieve a better convergence 
when performing GEO_OPT and CELL_OPT and vibrational spectra? Do we have 
any recommended literature available?

Thank you very much
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