My Community

I have installed VASP 4.6.28 and would like to use it to calculate the energy of an adsorbate-metal surface system in the presence of an external electric field.

I understand that the magnitude of the electric field can be declared in the INCAR file using the keyword EFIELD and the units are electron volts/Angstroms. Does that mean that a field of magnitude 0.1 eV/A would be declared as "EFIELD = 0.01"? Also how do we assign a direction to the electric field?

I will be very grateful if someone can answer my questions! Any suggestions regarding the procedure for this calculation will be deeply appreciated!

0.1eV/A are assigned by EFIELD=0.1
the direction of the field is the z-direction (perpendicular to the surface) by default

Thank you very much for your reply! I have just one more question. I understand that the field is in the z-direction by default but is there a way to assign it to the -z direction? I would like to apply two kinds of electric fields, both perpendicular to the surface but one pointing towards and the other away from the surface.