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 < [email protected]> 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/ > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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