DOSCAR with Efield
Posted: Mon Jan 03, 2011 5:27 pm
Dear all,
Recently I tried to calculate the density of states in the presence of an electronic field, and expected to see the DOS will shift similar to what happened in the experiments by a gate bias. However, I notice that the DOS is the same with or without the Efiled.
Here are the tags to include the Efield
IDIPOL = 3
EFIELD = 0.005
LDIPOL = .True.
I change the direction of the EFIELD by switching between 0.005 and -0.005
Does it mean that the EFIELD can not be used to simulate a gate bias?
Any idea?
Thanks in advance,
Recently I tried to calculate the density of states in the presence of an electronic field, and expected to see the DOS will shift similar to what happened in the experiments by a gate bias. However, I notice that the DOS is the same with or without the Efiled.
Here are the tags to include the Efield
IDIPOL = 3
EFIELD = 0.005
LDIPOL = .True.
I change the direction of the EFIELD by switching between 0.005 and -0.005
Does it mean that the EFIELD can not be used to simulate a gate bias?
Any idea?
Thanks in advance,