[Pw_forum] Magnetization Question
hsd22 at hermes.cam.ac.uk
Wed Sep 20 12:25:51 CEST 2006
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
How can that be done ?
Thank you very much and best regards,
| Dr. Helder S. Domingos |
| INESC Microsyst & Nanotechnol, Lisbon, P-1000 Portugal |
| and |
| R&D unit for Molecular Chemical Physics |
| Chemistry Department, University of Coimbra |
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