[Wien] external magnetic field and total energy

[Peter Blaha]

No, this energy is not included.

Am 01.10.2012 06:28, schrieb YONGBIN LEE:
> Dear Users,
>    When external magnetic field interactions are calculated by "orb" and "lapw0" ,
> are the external B field energies like "M_spin*B_ext" counted in the total energy?
> I'm trying to calculate B field vs. total energy but not sure if I can use just calculated total energy by SCF
> or have to add M_spin*B_ext by hand.
>
>   Best,
>   Yongbin
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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