[Wien] AFM & case.in1

[Peter Blaha]

> If I understand things correctly, for an AFM run case.in1 (case.in1new)
> should have pairs of identical entries - which by default it might not
> have. Am I mistaken?

If you mean the expansion energies, not necessarily.
One atom should have the expansion energies set to spin-up,
the others to spin-dn.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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