diff --git a/parser/parser-elk/parser_elk.py b/parser/parser-elk/parser_elk.py index 6c26cd82a7363904cde2d01d5579a3345b9a33de..3511c8cff32c33e4b5b2708c6c3f07ad58b0bbe9 100644 --- a/parser/parser-elk/parser_elk.py +++ b/parser/parser-elk/parser_elk.py @@ -128,7 +128,7 @@ class ElkContext(object): def onClose_section_scf_iteration(self, backend, gIndex, section): Etot = section["energy_total_scf_iteration"] - backend.addValue("energy_total", Etot) + backend.addValue("energy_total", Etot[-1]) # description of the input mainFileDescription = \