On Thu, 2012-05-31 at 23:03 -0400, James Mao wrote: > for 06-C.LDA.fhi pp, the l max is 3. Inside there are > 4 wavefunctions which I think supposed to be l=0,1,2,and 3. > But for l=3, it will be a "f" orbital. 4f orbital for C atom? > I don't think my guess is correct.
I think it is P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
