You are right. This is an approximate treatment of magnetism +
spin-orbit coupling and in principle spins could mix,
However, for core states this is a good approximation (there is an old
paper by Guo, ... Blaha showing this for bcc Fe).
On 07/09/2013 09:22 AM, saurabh samant wrote:
Dear WIEN2k authors and users,
Plz refer to case.inst file of Zn in pg. 84 of UG 12.1 version. In line 3
first column gives the principal quantum no., second column gives the
relativistic quantum no. which refers to a particular set of of orbital
quantum no. and spin quantum no. For example
2 matches
Mail list logo
