Page 1 of 1

Can I do LDA+SOC+U calculation using vasp?

Posted: Tue Nov 21, 2006 7:25 pm
by xianghjun
Hi,
I would like to know if LDA+spin-orbit coupling+U is implemented in VASP.
And can I optimize the structure using LDA+U, or LDA+SOC,
or even LDA+SOC+U?
Thanks.

Can I do LDA+SOC+U calculation using vasp?

Posted: Wed Nov 22, 2006 10:42 am
by admin
yes, please look it up in the manual

Can I do LDA+SOC+U calculation using vasp?

Posted: Sun Nov 26, 2006 3:03 pm
by xianghjun
Thanks, I will try this method.