[ase-users] Getting magnetic moments from vasp

[Protik Das]

Hi,

I am running a spin polarized calculation using vasp as a calculator. But
it seems the atoms object is not updated with the magnetic moments from the
calculator when the calculation is done. I am getting the following error
when I try to get the magnetic moments from the atoms or the calculator
object.

  File
"/home/protik/anaconda3/envs/ase/lib/python3.6/site-packages/ase/calculators/calculator.py",
line 441, in get_magnetic_moment
    return self.get_property('magmom', atoms)
  File
"/home/protik/anaconda3/envs/ase/lib/python3.6/site-packages/ase/calculators/singlepoint.py",
line 34, in get_property
    'The property "{0}" is not available.'.format(name))
ase.calculators.calculator.PropertyNotImplementedError: The property
"magmom" is not available.

Is there a way to update the magnetic moments of the elements from the
calculation? I am using ase 3.13.0.

Thanks.
-- 
Protik Das,
ECE Graduate Student,
LATTE (http://latte.ece.ucr.edu),
University of California, Riverside.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20170522/92f326be/attachment.html>