[CP2K-user] [CP2K:19068] Obtaining the Wannier Hamiltonian from CP2K

Diego López diegolopal at gmail.com
Thu Jul 6 08:30:08 UTC 2023

Dear CP2K users,

In my research I usually use Wannier90 software to obtain the Wannier 
centers and Wannier Hamiltonian from a QuantumEspresso output, so I can 
calculate the magnetic exchange couplings using TB2J . Now I am starting to 
use CP2K and I am trying to underestand the section &LOCALIZE. Is there any 
way to obtain the Wannier Hamiltonian? 

Also I noticed that there is a section called &WANNIER90, but I did not 
found any further information about it. Which are the capabilities of this 

Thank you in advanced.

Best regards,

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