Dear WIEN2K users, I want to create a charge density plot for s-valence electrons (charge density versus distance from the corresponding atomic nucleus) and need help in this regard. Starting with case.clmval file, I can create charge density plot for all the valence electrons together?using lapw5. But I am interested to seperate out only the valence s-electron contribution. Can someone help me in this regard? I am using WIEN2K9.1 version. ? With best regards ????????????????????????????????????????????????????????????????????????????????????????????????? Amlan Ray Address ? Amlan Ray Variable Energy Cyclotron Center 1/AF, Bidhannagar Kolkata - 700064 India
-------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101206/91f24631/attachment.htm>