[Pw_forum] a question about the adsorption of 3d atoms on a surface with spin -polarized calculations

sufyan sufeer03 at gmail.com
Mon Jun 24 13:42:18 CEST 2013

Dear developers and users
i want to run spin -polarized calculations regarding the adsorption of 3d
atoms on some surfaces  with different magnetic phases (ferromagnetic and
anti ferromagnetic)

 If  i run the calculation"the relaxation of the the adsorbed 3d atoms on
the surface " without  spin-polarized case  until i get the equilibrium
positions of these adsorbed atoms and then, i run the calculations with
different magnetic phases with the same obtained atomic positions above .

My question is if this way right or not ?

Any suggestions will be appreciated.

Thanks in advance
Sufyan Naji
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