[Wien] Minimization before Volume Optimization ?

[Fecher, Gerhard]

Do you think the ground state is the state with arbitrarily choosen positions of the atoms ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Abderrahmane Reggad [jazairdz at gmail.com]
Gesendet: Donnerstag, 10. November 2016 23:06
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] Minimization before Volume Optimization ?

Dear Gerhard

Yes I did but my question is about the determination of the magnetic ground state .

Is it necessary the minimization of the atomic positions for this purpose?

Best regards

--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie