Hi All I am doing spin-orbit coupling calculations. To get spin-polarized calculations with spin-orbit coupling mentioned in the input for scf,?? lspinorb=.true., ??? noncolin=.true., ??? starting_magnetization(1)=0.5, ??? starting_magnetization(2)=0.5, After this scf calculations I am doing the nscf calculation and finally the density of states and partial density of states. What I expect is it should give me both up and down spin DOS separately but I didnt get that. usually for calculations without spin-orbit coupling I mention nspin=2 in the input and get spin polarized results with both up and down spin density of states given separately which can be plotted. Please suggest what to do?
?Thanking in advance, regards Padmaja Patnaik Research Scholar Dept of Physics IIT Bombay Mumbai, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110908/c638458b/attachment.htm
