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Dear community,
I'm studying a electrode system, with an insulator put between 2 metal electrode. I want to apply an external potential to the system.
Is this can be done without modification of VASP source code, or needs to modify it? Currently, I don't see VASP has this function. From physics, it's straightforward. But looks like it isn't an easy work to be done in code?
Dear Yujia Teng,
It is not possible to apply an external potential directly in VASP. But it is possible to apply an external electric field with VASP. You can do this by setting the tag EFIELD in the INCAR file.
This will apply a constant EFIELD to your simulation box. For further information please check the wiki page for Electrostatic corrections
.
All the best Jonathan