External Electric Field in VASP

Message

Eugene · #1 Post by **Eugene** » Tue Apr 12, 2005 1:48 am

Hi,

is it possible to apply external electric field in the latest VASP version without code modification? If yes, how. I didn't find such possibility in the manual.

Thanks.

#2 Post by **admin** » Fri Apr 22, 2005 2:33 pm

Vasp 4.6 supports external electric fields, using
the line

EFIELD = XXX (units eV/A)

in the INCAR file. Furthermore the following flags are required

LDIPOL=.TRUE.
IDIPOL= direction of field

markovits · #3 Post by **markovits** » Thu May 19, 2005 2:41 pm

It seems that the geometry optimization (using IBRION=2) does not take into account the applied external electric field. Is that right? The optimization does not yield the most stable geometry, even if a simple path performed by hand shows that there is no energy barrier between the starting point and what should be the last point.
Thank you in advance for your help.

pang_qing · #4 Post by **pang_qing** » Wed Jun 09, 2010 10:05 am

Dear,
I found in many references the unit of the electronic field strength used is V/A. However, the unit given here is eV/A, which seems as a unit of force.
So the question is: What is the unit (eV/A) mean, and what's the relationship between (eV/A) and (V/A)?

[ Edited Wed Jun 09 2010, 12:15PM ]

Sonny · #5 Post by **Sonny** » Mon Jul 05, 2010 6:15 am

All,
E = F / q
The force on an electron charge
eV/A = V/A

[ Edited Thu Jul 08 2010, 01:51AM ]

jgsmi · #6 Post by **jgsmi** » Tue Oct 02, 2012 6:59 am

OK

[ Edited Tue Oct 02 2012, 09:07AM ]

zhangjinmt · #7 Post by **zhangjinmt** » Fri Jan 25, 2013 11:58 am

But I think E = F / q
The force on an electron charge （-e）
eV/A = -V/A instead of
eV/A = V/A.
right?