[CP2K-user] [CP2K:18837] Slow geometry optimization

[Bakary N'tji Diallo]

Dear all,

I've been trying to perform a simple geometry optimization on a 
deca-alanine molecule at ( revPBE-D3(BJ)/def2-TZVP). The optimization 
process seems rather slow (> 2 days on 64 CPUs machine), and the SCF is not 
converging. 

I'm not sure if I am missing something in the input file (please find it 
attached). The same input would optimize h2 in 5 hours!

I would appreciate any help.
Best regards

--
Bakary 

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