<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;">Dear CP2K
users,</span><span lang="EN-US" style="font-size: 12pt; font-family: "Times New Roman", serif;"></span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;"> </span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;">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? </span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;"> </span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;">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?</span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;"> </span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;">Thank you
in advanced.</span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span lang="EN-US" style="font-size: 10.5pt; font-family: Roboto;"> </span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span style="font-size: 10.5pt; font-family: Roboto;">Best regards,</span></p>
<p style="margin-bottom: 0cm; line-height: normal;"><span style="font-size: 10.5pt; font-family: Roboto;">Diego</span></p>
<p></p>
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