[Wien] Ferrimagnetic calculations

Jihoon Park maximumenergyproduct at gmail.com
Sun Sep 9 20:23:07 CEST 2012

Dear Users,

I tried ferrimagnetic calculations with strontium ferrite SrM structures,
but the spins always flip back to all up spins, even thought I set the
case.inst for up and down spins.
And I even tried fixed spin momnet (FSM). I checked the box for FSM for
this. Should I change the number in the box? I did '0' and '1' but did not
When I tried ferrimagnetic calculations with MnBi structures (MnBi is not
ferri, but just tried) by changing only case.inst, the spins remained in
the original dirrection.
Please give me some idea why MnBi work but SrM structure does not work for
ferrimagnetic calculations.

All my best,
Jihoon Park
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120909/ddd5bb01/attachment.htm>

More information about the Wien mailing list