<span style="border-collapse: collapse; font-family: arial,sans-serif; font-size: 13px;">Hi,
in the userguide, it says that "if LDA+U is used in an unrestricted,
general way, it introduces an orbital field in the calculation". And it
also recommends turning on spin-orbital interaction first and then
slowly turn on LDA+U. Do I have to include spin-orbit coupling and then turn on LDA+U slowly?<br><div><br></div><div>The
way I used to do LDA+U is to first generate structure file. Then
initialize. Finally, I will edit case.indm and case.inorb according to
my materials. Is it correct or not? Or should I always turn on
Spin-Orbit coupling?</div>
<div><br></div></span>