[Pw_forum] MnPd Bulk

Salvador Meza Aguilar smeza at uas.uasnet.mx
Tue Dec 2 19:17:21 CET 2008

I'm investigating the magnetic properties of MnPd ordered alloys
on Co(001) and Co(111) fcc, using PWscf version 3.2

I have some questions about the obtained results.

I try to find the values reported in the following paper:
Journal of Alloys and Compounds 415, 31-37 (2006), in the table IV,
the values for magnetic moments for Mn and Pd atoms in each
magnetic configuration. I found dead magnetic moments for each
magnetic configuration. I have several results with MnPd on Co 
substrate; with
non zero magnetic moments for Mn and Pd atoms.

Which is the problem? I attach the input files.

Escuela de Ciencias Fisico-Matematicas
Universidad Autonoma de Sinaloa
Av. de las Americas y Blvd. Universitarios
Ciudad Universitaria
80010 Culiacan Sinaloa
Tel./Fax +52 6677 15 64 12 ext 114
Tel./Fax +52 6677 16 11 54 ext 114
e-mail: smeza at uas.uasnet.mx

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