Dear users, I need to know the value of the total electrostatic potential of a molecule, defined as the sum of the hartree potential plus the local pseudopotential. I produced SystemLabel.VH. How can I do it?
Best, Laura
Dear users, I need to know the value of the total electrostatic potential of a molecule, defined as the sum of the hartree potential plus the local pseudopotential. I produced SystemLabel.VH. How can I do it?
Best, Laura