Commit 25b4bf58 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Fixed another bug in the DOS conversion.

parent be32d304
......@@ -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)
......
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