[CP2K-user] [CP2K:18409] Unit of Wannier spread

Rajorshi Chattopadhyay rajorshichat at gmail.com
Sun Feb 5 01:12:55 UTC 2023

Hello all,

I am trying to print the wannier centers and spreads. I have a couple of
questions regarding this:

1. The order in which the wannier centers are printed and the order in
which the spreads are printed are the same. Is this right ?
2. What should be the unit of the wannier spreads ?

I thank you in advance for your help/suggestions.

With Regards,
Rajorshi Chattopadhyay,
PhD Researcher in Mineralogy/Crystallography,
Institut für Geologie und Mineralogie,
Universität zu Köln, Germany

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