[Wien] LDA+U +SOC calculations

[Sylwia Golab]

Dear Mr Blaha and others,

my question seems to be trivial and I am sorry about that, but I cannot find clear answer:
what should we do first: calculations with SOC (without orb) and then include orb or calculations with orb (without SOC) and then include SOC?

Best regards,
Sylwia

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180320/9176a83b/attachment.html>