Guilherme, Could you please be more specific about your problem? That is, stating more or less what kind of system you are working with, the exact procedure you are following for your calculation and other relevant calculation? The fdf could be of some help along with a more detailed specification of your problem.
Best regards. Marcos On Tue, Jul 13, 2010 at 8:49 PM, Guilherme Lima < [email protected]> wrote: > I am just starting use the Siesta and I am having some problems with > one antiferromagnetic calculation. > During the SCF procedure the program gived the ef_up and the ef_down. > They weren´t equal but they were around -3.69 eV. However after the > convergence > the program write the eigenvalues and Fermi energy = 0.00 eV. When I > considered the > material as ferromagnetic there weren´t any problem. > Could someone help me? > > Thanks in advance, > Guilherme Ferreira de Lima > Ph.D student > Federal University of Minas Gerais > Belo Horizonte - Brazil. > > >
