ABINIT Discussion Forums

Hi
I want to run a ground state calculation for a system that I don't know it is ferro or antiferromagnetic,
I ran the ferro case but I can't run the antiferro case.I change the input file alot but it didn't work.
The error is :
chkinp: ERROR -
When nsppol==1 and nspden==2, at least one of the symmetry operations
must be anti-ferromagnetic (symafm=-1), in order to deduce the spin-down density
from the spin-up density.
However, it is observed that none of the symmetry operations is anti-ferromagnetic.
Action : Check the atomic positions, the input variables spinat, symrel, tnons, symafm.
In case your system is not antiferromagnetic (it might be ferrimagnetic ...),
you must use nsppol=2 with nspden=2 (the latter being the default when nsppol=2).

BUT I write every thing !!!
and part of my inputfile is : (SiC honeycomb layer)
nsppol 1
nspden 2
nspinor 1
spinat 0 0 1
0 0 -1
#nsym 1
symafm -1

I was wondering if someone can help me..

best regards
fariba

Hi !

From the part of the input that you have provided, the problem is not obvious to me.
Could you post your complete Input file ?

Best regards
Bernard Amadon

Dear amadon
I was wondering if you look at my other problem thet is called "Density of state" in this forum,
thanks a lot for your sincerely attention

best regards,
fariba