calculate the dipole moment due to the external electric field

Message

ning · #1 Post by **ning** » Mon Aug 22, 2005 3:50 pm

Dear All,
I was trying to calculate the dipole moment due to the
applied external electric field, I usd the parameters:
LDIPOL = .TRUE.
IDIPOL = 1
EFIELD = 111

But I don't how can find the final dipole moment caused by the external electric field. Since in the OUTCAR file, the dipolment is zero in three direction.

Any of your suggestion will be highly appreciated.

Ning Shi

#2 Post by **admin** » Fri Nov 25, 2005 4:17 pm

by your input you apply an electric field of 111.0 eV along the x-axis:
EFIELD should specify the strength of the electric field (in units of eV).
the dipole moments are written in OUTCAR (search for the string 'dipolmoment' there)

nis02002 · #3 Post by **nis02002** » Thu Oct 26, 2006 7:14 pm

Thank you! But the calculated dipole moment seems not correct.

Ning