[QE-users] occupation=smearing and magnetic moment

[Evgeny Permyakov]

Dear QE users! I found that the calculated magnetic moment of the minimal
cell of LaFe4P12  depends on whether I use occupations=smearing,
specifically I get magnetisation about 2.7 Bohr/cell for occupations=fixed
and zero magnetisation for occupations=smearing. Is it normal? Why does it
even happen? What result is the more 'correct' one?

The system is suspected to be a Pauli paramagnet, does this fact mess
somehow the calculation and how should I approach modeling it?

I added the minimal input file to reproduce the behaviour.
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