[Wien] Problems of HCP (the fourth time)

2010-02-01 Thread Hui Wang
Dear Dr. Stefaan: First, thank you very much for your helpful and enlightened reply, and your reply this time is very useful to me. I think there was a misunderstanding about my first question: case.scfdmup * Spin-polarized +

[Wien] Problems of HCP (the fourth time)

2010-02-01 Thread Stefaan Cottenier
I think there was a misunderstanding about my first question: case.scfdmup * Spin-polarized + s-o calculation, M|| 0.000 0.000 1.000 Calculation of X, X=c*Xr(r)*Xls(l,s) Xr(r)= I Xls(l,s) = L(dzeta)