Structure optimization under an electric field
Posted: Tue Nov 03, 2020 5:28 pm
Dear VASP team and users,
I want to study the role of ion relaxation driven by an electric field in a system of MgO/Fe/MgO. I use the dipole layer method implemented in VASP. I use a well-optimized structure as a starting point and re-optimize it under an electric field (E=0.2 V/A). I found the reoptimized structure doesn't change very much. I am wondering is the force under electric field correctly implemented in VASP?
Thanks,
I want to study the role of ion relaxation driven by an electric field in a system of MgO/Fe/MgO. I use the dipole layer method implemented in VASP. I use a well-optimized structure as a starting point and re-optimize it under an electric field (E=0.2 V/A). I found the reoptimized structure doesn't change very much. I am wondering is the force under electric field correctly implemented in VASP?
Thanks,