Hello all,
I am currently working on a pseudopotential for Cd that has 18 valence electrons by including the 4p6 shell. This will require me to define a PAO.Basis block since the pseudopotential now includes semicore states. I was wondering if any one could possibly share any rule of thumb or technique for choosing appropriate rc and rm values for each shell. Thanks in advance, Tom Sadowski University of Connecticut _________________________________________________________________ Boo! Scare away worms, viruses and so much more! Try Windows Live OneCare! http://onecare.live.com/standard/en-us/purchase/trial.aspx?s_cid=wl_hotmailnews
