> I am trying to analyze magnetic properties of the materials. I have
> created input for ferromagnetism and anti-ferromagnetism. But how to
> create input for ferrimagnetism and Any help will be appreciated.
>

You set the anti-ferro atoms as different species (e.g. Fe1, Fe2) with the same pseudopotential, and set them different starting magnetizations (e.g. +1 and -1) and hope it converges to an anti-ferro ground state

> also please let me know how to
> calculate individual spin up and spin down magnetic moment.

something is written on output by pw.x, you can use projwfc to have more information

kind regards


--
Lorenzo Paulatto - Paris
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to