[CP2K-user] [CP2K:19078] Aboult &LOCALIZE and &WANNIER90

[Diego López]

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. I have 
calculated the Wannier centers and spreads but, 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 
section?

 

Thank you in advanced.

 

Best regards,

Diego

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