Dear all,
?
In the calculation of core states, Wien2k treats the spin-up electron and
spin-down electron respectively from their?full relativistic Dirac?equations.
However, in such calculations the spin(S) is not good quantum number of
the?system, but the total?angular momentum(J=l+S). Actually,?in the
/SRC_lcore/insld.f the spherical potential file
"case.vspup" is read for solution the "spin-up" Dirac equation and "case.vspdn"
for solution of "spin-dn" Driac equation.
?
Anyone can give me some tips to understand such treatment of independent
"spin-up" and "spin-down" electrons with the framework of Dirac equation? In
full relativistc situation, the spin-up and spin-down states are always mixed
together such that the eigen-spin states actually do not exist.
?
?
Thanks so much.
Wenmei Ming
?
Institute of Physics,
Chinese Academy of Sciences
Beijing 100190
China
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