Dear All,
I am trying to perform a calculation with the adsorption of a molecule on a slab model in the presence of an electric field. From what I understand from the wiki, the units for the EFIELD parameter is in units of eV/Angstrom. A quick Google shows that the unit for an electric field is V/Ang.
Is there a way to convert eV/Ang to V/Ang?
From some preliminary calculations, I found that changing the EFIELD value to a negative one produced the same results as the positive value. Is it possible to change the direction of the field? What is the default direction of the field in the z-axis?
Below are the INCAR parameters:
SYSTEM= CO2
ISMEAR= 2
SIGMA= 0.1
ISIF = 2
ENCUT= 400
NSW= 500
PREC= Accurate
EDIFFG = -0.01
IBRION= 2
VOSKOWN=1
IALGO=48
LREAL= Auto
LMAXPAW=0
NPLANE=.TRUE.
LCHARG=.FALSE.
LWAVE=.FALSE.
EFIELD= 0.2
IDIPOL= 3
LDIPOL=.TRUE.
ADDGRID=.TRUE.
Thank you.
EFIELD
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Re: EFIELD
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