Dear WIEN2k community, To optimize the internal coordinates by minimizing the forces it should not do it with SOC. Now my question is; I want to compare a system with ferromagnetic and antiferromagnetic to see which one is more stable. Can I do it after I incorporate SOC? Saludos
Pablo
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
