Page 1 of 1
GGA tag
Posted: Wed Jan 18, 2006 9:55 am
by tgakic
What happens if one sets the GGA tag in the INCAR file and it uses the GGA pseudopotentials? I understand that the GGA tag can be used only on LDA pseudopotentials. I am wrong?
Thank you,
Ionel
GGA tag
Posted: Wed Jan 18, 2006 10:33 am
by admin
the GGA tag can be set for any kind of PP, though it is not recommended to do so (except to set it to RP)
GGA tag
Posted: Fri Mar 30, 2007 8:53 am
by tgakic
So, if I want to try the RPBE I will set the GGA tag to RP in the INCAR file and then I will use the LDA POTCAR or the PBE POTCAR?
GGA tag
Posted: Fri Mar 30, 2007 1:36 pm
by admin
start from the PBE POTCAR file