Hello siesta users, I have a question on Projected density of states plot. I am doing SrRuO3 calculation in perovskite structure. Now I want find the pdos, but the Sr and Ru both have 5s and 4d orbital common...
So if i want only 5s state of Sr atoms, then what I have to set in m_orbital_chooser.f90? becuase if i set 5s orbital then it also include 5s orbital of Ru and not only Sr. thanks Bipul Rakshit SRF DAE-BRNS Computational Research Lab. Barkatullah University, Bhopal 462 026, India Mob.: +919406540952 Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/