Non-collinear magnetism

Total energy, geometry optimization, DFT+U, spin....

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nancynaguib
Posts: 3
Joined: Thu Sep 08, 2016 10:27 am

Non-collinear magnetism

Post by nancynaguib » Thu Mar 23, 2017 7:00 am

Hi Abinit users,
I am wondering is anyone had tried abinit on non-collinear magnetic compound? So far, i have using abinit with either colinear or strictly antiferromagnetic but not canted , however the real compound have a canted AF.
Thanks
Nancy

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: Non-collinear magnetism

Post by mverstra » Thu May 11, 2017 2:55 pm

Hi Nancy,

non collinear magnetism works fine. For slightly canted materials it is delicate, and has been cleaned recently. Try the latest versions in norm conserving pseudopotentials: the PAW + non collinear canting can go to 0 spuriously in some cases.
Matthieu Verstraete
University of Liege, Belgium

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