Dear Prof. Blaha and Wien Users, I am trying to work out the electrons arrays according to the file case.inst, but I do not know the exact meaning of ?Relativistic quantum number?. For example, a list in the file case.inst: Ar 2 3, 2, 2.0 3, 2, 1.0 4, -1, 1.0 4, -1, 1.0 I take for that: there are two 3d electrons and one 4s electron in the spin-up channel, one 3d electron and one 4s electron in the spin-down channel. In other words ,three 3d-electrons occupy two orbits. Am I right? Thank you for any help.
????????wangjingjing at ciac.jl.cn ??????????2009-11-30
