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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130624/920940d3/attachment.html
