diff --git a/parser/parser-fplo/parser_fplo_14.py b/parser/parser-fplo/parser_fplo_14.py index b5a97f8170bb374a3e82e46811e070c822aa8175..c71365198d64eb1305c4eadd07ba0e366519b5e1 100755 --- a/parser/parser-fplo/parser_fplo_14.py +++ b/parser/parser-fplo/parser_fplo_14.py @@ -627,6 +627,15 @@ class ParserFplo14(object): self, backend, gIndex, section): backend.addValue('single_configuration_calculation_to_system_ref', self.sectionIdx['system']) backend.addValue('single_configuration_to_calculation_method_ref', self.sectionIdx['method']) + scf_iter = self.section['scf_iteration'] + backend.addValue( + 'energy_total', + scf_iter['energy_total_scf_iteration'][-1] + ) + backend.addArrayValues( + 'energy_reference_fermi', + np.array(scf_iter['energy_reference_fermi_iteration'][-1]) + ) def initialize_values(self): """allows to reset values if the same superContext is used to parse