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 Génie Physique Université Ibn Khaldoun - Tiaret Algerie
Answers are at the following link:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14874.html
My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences. 
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