[Wien] Spin polarization calculation of Pauli Paramagnet

[Stefaan Cottenier]

>>> AND now to my question: the specific phase that was explored was
>>> reported elseware "as weak parameagnetic with temperature
>>> independent". SP calculations gave me more realistic volume than
>>> non-SP. Is it a coincidence?

>> The best simulation in a "static bandstructure approach" would
>> probably be using a big supercell and simulating a disordered
>> state, but since this could be quite expensive, the second best
>> method is to neglect the parameagnetic state and use the
>> corresponding ordered state.

> But I think you misunderstood me, so let me rephrase the question.

I think you misunderstood the answer, as this answer tells you that what 
you observed is no coincidence at all: ordered moments are a better 
approximation to disordered moments than no moments would be.

Stefaan