Dear wien2k experts,
I am well familiar with procedures of ferromagnetic, antiferromagnetic
and nonmagnetic calculations by wien2k.
But I don't know how to calculate paramagnetic calculation.
I want to check ground state energy for all these four magnetic
calculations.
Then. what is the
Hi,
A paramagnetic phase consists of randomly oriented magnetic moments.
This is more difficult to simulate than FM, AFM and NM since in
principle this requires the use of a supercell. See for instance this:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.195139
F. Tran
On Saturday
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