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,
DOSCAR with Efield
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yuxiao_zihan
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DOSCAR with Efield
Last edited by yuxiao_zihan on Mon Jan 03, 2011 5:27 pm, edited 1 time in total.
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yuxiao_zihan
- Newbie
- Posts: 23
- Joined: Mon May 28, 2007 12:18 pm
- Location: ENS de Lyon, Lyon, France
- Contact:
DOSCAR with Efield
PS. I notice the total energy with EFIELD = 0.005 and 0.0005 are almost the same with difference smaller than 1meV. Larger value of EFIELD, e.g. 0.05 will induce some problem of the convergence.
Thanks
Thanks
Last edited by yuxiao_zihan on Fri Jan 07, 2011 11:06 pm, edited 1 time in total.