[CP2K-user] [CP2K:20106] Getting a cp2k input file to run with B3LYP-D3 functional

[Ruvini Attanayake]

Dear all,

I think this is a very sinmple question. But I get errors when I try to do 
it. 

I have the attached cp2k input file which is working with 'Pade' 
functional. I need to make it run with  B3LYP-D3 functional. How do I have 
to change basis set etc. 

I really appriciate your help. 

With best regards,
Ruvini

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