diff --git a/parser/parser-gpaw/parser2.py b/parser/parser-gpaw/parser2.py index ab2ea62baf6a49721fb284456381561293792dff..8752f59874991d39dba7341d061b04b9f163d2fd 100644 --- a/parser/parser-gpaw/parser2.py +++ b/parser/parser-gpaw/parser2.py @@ -150,9 +150,8 @@ def parse(filename): origin, 'angstrom') p.addArrayValues('volumetric_data_displacements', displacements, 'angstrom') - p.addArrayValues('volumetric_data_values', values) + p.addArrayValues('volumetric_data_values', c(values, unit)) p.addValue('volumetric_data_kind', kind) - p.addValue('volumetric_data_unit', unit) # H.atom.ulm.gpw test can be used to verify that pseudodensity # integrates to 0.98, corresponding closely to the norm of the