[QE-users] Orbital magnetization and GIPAW

[Paolo Giannozzi]

As far as I know, the method described here is implemented:
  New J. Phys. 12, 053032 (2010), doi:10.1088/1367-2630/12/5/053032
See variable "lorbm" of pw.x. Note however that this option is unmaintained
and may or may not work.

Paolo

On Wed, Sep 23, 2020 at 7:55 PM Malte Sachs <
malte.sachs at chemie.uni-marburg.de> wrote:

> Dear all,
>
> I have found a paper (PHYSICAL REVIEW B 81, 060409 R   2010 ) in which
> the orbital magnetization of Fe,Co and Ni is calculated by the GIPAW
> method. The authors mention that the method is implemented in Quantum
> Espresso. However, I do not find any hint in the Quantum Espresso
> distribution or at the GIPAW code. Can anybody tell me, where to find
> this code or if it available at all?
>
> Thank you and best regards,
>
> Malte
>
> --
> Malte Sachs
> Anorganische Chemie, Fluorchemie
> Philipps-Universität Marburg
> Hans-Meerwein-Straße 4
> 35032 Marburg (Paketpost: 35043 Marburg)
> Tel.: +49 (0)6421 28 - 25 68 0
> http://www.uni-marburg.de/fb15/ag-kraus/
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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