[Wien] AFM LaMnO3

[Jorissen Kevin]

1. Yes
2. If it is the antiferromagnetic structure that you are interested in : Yes
 
good luck,
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: Natalia Perkins [mailto:Natalia.Perkins at lnf.infn.it] 
	Verzonden: do 10/16/2003 1:05 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: Re: [Wien] AFM LaMnO3 
	
	

	Dear all,
	I still have problems with afm calculations for AFM phase of LaMnO3.
	I have some questions:
	1.What is the main difference in the antiferromagnetic and spin-polarized
	calculations? Do I understand correctly that afm simply economizes some
	time by doing calculations only for spinup  and then copying them
	according to the given in case.inst  "afm rules"?
	2. Should I flip spins in case.inst if now I want to try  only
	spin-polarized calculations?
	
	Thanks for a help,
	
	Yours, Natalia Perkins
	
	
	
	
	
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