[CP2K-user] [CP2K:18481] implicit solvation model calculation was much slower than the explicit solvation model

[Jessie wang]

Dear all,

I hope to use the implicit solvation model to perform geo_opt for a metal 
cluster with ligand molecules.  But it takes much more time than the 
explicit solvation model for any SCF calculation. Is this normal or did I 
do something wrong?  I would be grateful if you could give me a suggestion. 

Here I have attached my input files for both calculations. For the explicit 
model, I added about 690 water molecules to the box for the explicit 
calculation. For the explicit calculation I needed 32 seconds per scf, for 
the implicit calculation 78 seconds per scf. All other settings are the 
same and the same calculation resources were used. 


Best,

Jessie

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