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Dear all, <BR>
<BR>
In the calculation of core states, Wien2k treats the spin-up electron and spin-down electron respectively <BR>
from their full relativistic Dirac equations. However, in such calculations the spin(S) is not good quantum number<BR>
of the system, but the total angular momentum(J=l+S). Actually, in the /SRC_lcore/insld.f the spherical potential file<BR>
"case.vspup" is read for solution the "spin-up" Dirac equation and "case.vspdn" for solution of "spin-dn" Driac equation. <BR>
<BR>
Anyone can give me some tips to understand such treatment of independent "spin-up" and "spin-down" electrons <BR>
with the framework of Dirac equation? In full relativistc situation, the spin-up and spin-down states are always mixed together<BR>
such that the eigen-spin states actually do not exist.<BR>
<BR>
<BR>
Thanks so much.<BR>
Wenmei Ming<BR>
<BR>
Institute of Physics, <BR>
Chinese Academy of Sciences<BR>
Beijing 100190<BR>
China<BR><br /><hr />使用新一代 Windows Live Messenger 轻松交流和共享！ <a href='http://www.windowslive.cn/Messenger/' target='_new'>立刻下载！</a></body>
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