[CP2K:7767] magnetization of bcc-Fe

Yi Wang wang... at gmail.com
Tue May 17 14:03:39 UTC 2016


Dear Juerg,

Indeed, it was worse in Abinit. I would do careful checks before  
production runs.
Thank you.

Yi Wang

On Tue, 17 May 2016 19:36:28 +0800, <hut... at chem.uzh.ch> wrote:

> Hi
>
> regarding the delta test: if you check the Abinit HGHk values
> you find for Fe a value of 5.15 meV/atom.
>
> regards
>
> Juerg
> --------------------------------------------------------------
> 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
> ---------------------------------------------------------------



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