[Wien] Fundamental Question of Spin-orbit
Chiung-Yuan Lin
cylinwn at gmail.com
Fri May 6 11:22:09 CEST 2011
Dear all,
I have the following fundamental questions coming to my mind
when recently doing Wien2k SOC calculations:
Is the SOC contribution in a DFT calculation negative definite?
Or more precisely speaking, is E_{noSO} - E_{SO} always >0 ?
I just realize that the above statement seems to be true for all
SOC calculations I have done so far.
I would like to ask other people's experiences, and hope someone
may be able to formally justify such a statement if it is indeed true.
Thanks,
Chiung-Yuan
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