File: spinpol.py

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python-ase 3.26.0-2
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from gpaw import GPAW

from ase import Atoms

atoms = Atoms('N')
atoms.center(vacuum=3.0)
atoms.set_initial_magnetic_moments([3])

calc = GPAW(mode='lcao', basis='dzp')
atoms.calc = calc
atoms.get_potential_energy()