[Pw_forum] about orbital magnetic moment

[Gabriele Sclauzero]

Dear Saqib,

saqib.javaid at ipcms.u-strasbg.fr wrote:
> Dear PWSCF users,
> I have question regarding orbital magnetic moment calculations. as per a n older
> post (2007), orbital magnetic moment calculations are not implemented in PWSCF.
> Is this still the case now ???

I think so.

If I remember correctly the issue has been discussed also more recently (of the order of a 
few months ago, I cannot be more precise...). Perhaps, you can try to used the PDOS from 
projwfc.x to compute some quantity related to what you are searching for. I don't have any 
feedback if anyone even tried, but you can try to develop this suggestion for first. Or 
even better, implement this magnetic moment calculation in Quantum Espresso if you think 
that it could be useful also to other users.


HTH

GS

> 
> with best regards
> saqib javaid
> University of strasbourg
> 
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