diff --git a/parser/parser-vasp/vaspparser/parser_vasprun.py b/parser/parser-vasp/vaspparser/parser_vasprun.py index c9ecd2af878da208928ec38f268c33e465979ab3..6aa9f88149f4e71eaf8f8db811c09ba5d5044a8d 100644 --- a/parser/parser-vasp/vaspparser/parser_vasprun.py +++ b/parser/parser-vasp/vaspparser/parser_vasprun.py @@ -802,11 +802,13 @@ class VasprunContext(object): dosV = dosA[:, :, 1] # Convert the DOS values to SI. VASP uses the - # following units in the output: states/eV/angstrom^3 - ev_per_joule = convert_unit(1, "eV", "J") - a_cube_to_m_cube = convert_unit(1, "angstrom^3", "m^3") - dosV = dosV * ev_per_joule * a_cube_to_m_cube - dosI = dosI * ev_per_joule * a_cube_to_m_cube + # following units in the output: + # states/eV/cell. This means that the volume + # dependence has been introduced by multiplying + # by the cell volume + joule_in_ev = convert_unit(1, "eV", "J") + dosV = dosV / joule_in_ev + dosI = dosI / joule_in_ev if self.vbTopE: eRef = max(self.vbTopE)