[Wien] Ce does not converge

[Abderrahmane Reggad]

Hi Delamora

You have calculated the ferromagnetic of the Ce in FCC structure with

a=b=c=5.16A

But in AFM calculation the magnetic structure constructed has the lattice
parameters

a=b=c/sqrt(2), c=5.16 A

We see that in the case of NiO compound with a=b=c= 4.17  A and the
magnetic structure of order II has lattice parameters a = b = 2,96  A ,
14,53  A

I want to know which AFM order do you use

best regards



-- 
Dr. Abderrahmane Reggad
Engineering Physics Laboratory
Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000,
Algeria
Tel: +213(0)561861963 - Algeria
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