potential normalization
Posted: Wed Dec 18, 2013 5:01 pm
Hi all,
I am wondering about how the G=0 components of the Kohn-Sham potential are treated in VASP. From looking at the source code I can see that the G=0 component of the Hartree potential is set to zero, but I am not sure about the other contributions to the total KS potential.
I would be very grateful if somebody could shed some light on this issue.
I am wondering about how the G=0 components of the Kohn-Sham potential are treated in VASP. From looking at the source code I can see that the G=0 component of the Hartree potential is set to zero, but I am not sure about the other contributions to the total KS potential.
I would be very grateful if somebody could shed some light on this issue.