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.
