LOCPOT with LDAU
Posted: Fri Jun 19, 2020 7:53 am
Dear all,
I have LOCPOT by LVTOT=.TRUE., LVHAR=.TRUE. together with LDAU=.TRUE. to describe non-zero Hubbard potential for some transition metal elements.
Does anyone know whether the potential values in LOCPOT include the Hubbard term or not.
Thanks in advance,
Geunsik
I have LOCPOT by LVTOT=.TRUE., LVHAR=.TRUE. together with LDAU=.TRUE. to describe non-zero Hubbard potential for some transition metal elements.
Does anyone know whether the potential values in LOCPOT include the Hubbard term or not.
Thanks in advance,
Geunsik