Dear All, I have been using the constrained_magnetization = 'atomic' option on a system with a lot of magnetic atoms. The problem that I am getting is that the starting_magnetization can only be imposed on 10 atoms at most. Is it possible to impose starting magnetizations on an arbitrary number of atoms ? How can that be done ?
Thank you very much and best regards, Helder ======================================================================= | Dr. Helder S. Domingos | | | | INESC Microsyst & Nanotechnol, Lisbon, P-1000 Portugal | | and | | R&D unit for Molecular Chemical Physics | | Chemistry Department, University of Coimbra | =======================================================================
