[Pw_forum] Magnetization Question

H.S.Domingos hsd22 at hermes.cam.ac.uk
Wed Sep 20 12:25:51 CEST 2006

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,


|  Dr. Helder S. Domingos                                             |
|                                                                     |
| INESC Microsyst & Nanotechnol, Lisbon, P-1000 Portugal              |
| and                                                                 |
| R&D unit for  Molecular Chemical Physics                            |
| Chemistry Department, University of Coimbra                         |

More information about the users mailing list