[CP2K:9924] WANNIER90 Interface

hut... at chem.uzh.ch hut... at chem.uzh.ch
Thu Feb 1 12:17:28 UTC 2018

Dear James

unfortunately, the Wannier90 interface is in a kind of dormant
state. It is (the amn files and other things) on my todo list.
In the meantime it seems that the Wannier90 code is also making
progress and in the developers version many new options, e.g. for
the initial guess are available. I will have to see if we have to
adapt to these changes.


Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: James Charles 
Sent by: cp... at googlegroups.com
Date: 01/28/2018 06:19AM
Subject: [CP2K:9924] WANNIER90 Interface

I am new to using CP2K. I would like to use CP2K to produce Wannier Hamiltonians. I tried to use the Wannier90 interface but if I am not missing something, qs_wannier90.F is missing the output of the projections (*.amn) files. Is this correct? If so, are there any plans to add that? 


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