[Wien] about AFM calculation
Souraya GOUMRI-SAID
goumri-said at univ-paris12.fr
Mon Jan 22 17:21:27 CET 2007
Dear Steafaan,
Your answer doesn't help me any more !!! I would like to explain my
problems :
How I could make the difference between NM and AFM calculation ?
I knon how to setup AFm caluculation ( I don't forget flipping my spins
etc...) and it's obvious for me that the total magnetic moment is partial *
multiplicity + interstitial moment, my question was how I can distinguish
between moments of NM and AFM calculation ?
May the total energies play a role in finding the difference between AFM and
NM solutions ?
best regards,
--
Open WebMail Project (http://openwebmail.org)
More information about the Wien
mailing list