Can CP2K calculate the cohesive energy of an element?

Enlong Liu liuen... at
Wed Mar 12 10:11:18 UTC 2014

Dear all, 

I want to know the cohesive energy of silver atom. Can CP2K give me that 
information by simulation? Since for only one atom the cell_opt makes no 
sense, and I think the spin of the atom will influence the total energy of 
this single atom. So can CP2K take the spin polarization into 
consideration, like spin-up or down, spin quantum number etc? 

Thanks a lot for your help!

Best regards,

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