[Pw_forum] Calculating magnetic moment from non-collinear PDOS

Ian Shuttleworth shuttleworth.ian at gmail.com
Sun Jun 4 11:39:53 CEST 2017


Dear PW Forum

I wanted to know if there is a way to calculate magnetic moment using the
non-collinear density of states?

In collinear studies there is the relatively well-known formulation:

m = N_up - N_down

where N_up and N_down are the integrals of the spin up and down DOS, up to
the Fermi level. So, is there an equivalent for the non-collinear case?

With thanks

Ian Shuttleworth
(Nottingham Trent University, UK)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170604/68cd9e93/attachment.html>


More information about the users mailing list