Page 1 of 1
GGA+U
Posted: Wed Jan 30, 2008 4:18 pm
by ts25
Hi,
How can I setup GGA+U calculations?
Thanks
GGA+U
Posted: Fri Feb 01, 2008 1:33 pm
by admin
please read the corresponding chapter in the online handbook (LDA+U) about the parameters which have to be set. Use GGA pseudopotentials instead of LDA ones.