How is the calculating for HOMO and LUMO
Posted: Tue Dec 08, 2015 2:26 am
Excuse me
I won't method for caculating the HOMO and LUMO plot
As far as I know, add "LORBIT=11" and "ISPIN=1" to INCAR
and, I checked in PORCAR
However I don't distinguish between HOMO and LUMO
I wont everyone help
Thank you
I won't method for caculating the HOMO and LUMO plot
As far as I know, add "LORBIT=11" and "ISPIN=1" to INCAR
and, I checked in PORCAR
However I don't distinguish between HOMO and LUMO
I wont everyone help
Thank you