diff --git a/vaspparser/parser_outcar.py b/vaspparser/parser_outcar.py index 2e3776d18b30d69ed3587ba56cb317dcf3f4b887..4c0210e047675cf412b8f254a2ddf2bc2350e3a7 100644 --- a/vaspparser/parser_outcar.py +++ b/vaspparser/parser_outcar.py @@ -82,7 +82,7 @@ class MainParser(MainHierarchicalParser): backend.addArrayValues('configuration_periodic_dimensions', self.ase.get_pbc()) def onClose_section_run(self, backend, *args, **kwargs): - backend.addValue('program_name', 'vasp') + backend.addValue('program_name', 'VASP') backend.addValue('program_basis_set_type', 'plane waves')