ABINIT Discussion Forums

Hello everyone,

I'm quite new to Abinit and are currently looking at the tutorials. When trying out the spin tutorial and there the antiferromagnetic example everything worked fine till I tried get the magnetization of each atom using gz2.py. It seems, that the python-script uses values for the input of cut3d which are not known to it. I think, gz2.py must have worked with some older version of cut3d.
Since I do not know which of the input values refers to what input choice, I'm not able to reproduce the results.

Is there another way to get the magnetization of the atoms? Or perhaps you can help me with a commented or adjusted version gz.py?

Thanks.

Silvia Schumann

Dear Silvia,

Thanks for the information on the breaking of gz2.py . Unfortunately, this script is not tested regularly,
and so, what should happen in such case ... did happen.

To get the magnetization by another means, you can use the input variable prtdensph ,
http://www.abinit.org/documentation/hel ... #prtdensph

Best,
X.