Dear All I am trying to calculate the effect of spin-orbit coupling while the external magnetic field is specified by ORB package. However, it continues to give an error of reading the case.inorb during "x symmetso", one of initso_lapw step. I wonder whether SOC is actually not compatible with the nmod=3 ORB. Did anyone have the experience about this?
-- Jing-Han Chen <jhc...@tamu.edu> Postdoctoral Associate Department of Physics and Astronomy Texas A&M University, College Station, Texas, USA http://people.physics.tamu.edu/jhchen/ _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://firstname.lastname@example.org/index.html