[Pw_forum] Smearing Problem

[Elham]

Dear Nicola

Thanks so much .

According to this graph and your words I use smearing 0.001 Ry with kpoint
2*2*1 is enough to get a good result.
or I must be increase smearing ?

I have other problem with smearing and magnetic properties

This smearing and kpoint is good for pure surface  but when I add molecule
in surface use  this smearing is not good for magnetic properties
 I run ferromagnetic state but I see the tot=0 and absolute=0.85 (anti
ferromagnetic state) It is True?

Best Regards
Elham
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