Dear Wien2k Users

I want to do volume optimization for 5 structures (nm
(hex);afmI(hex),afmII(orth) and afmIII(orth)) to determine the magnetic
ground state.

Should I do minimization of the atomic positions for the orhorhombic
structures (because of the free parameter) before doing volume optimization
or I can do volume optimization without minimization.

Best regards

-- 
Mr: A.Reggad
Laboratoire de GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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