diff --git a/meta_info/nomad_meta_info/castep.nomadmetainfo.json b/meta_info/nomad_meta_info/castep.nomadmetainfo.json index beab465b67c3e726e79e3020cf5af5edbb27f4ca..606a7d40f9cd39d3b6590498fa59090a90693a0a 100644 --- a/meta_info/nomad_meta_info/castep.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/castep.nomadmetainfo.json @@ -348,7 +348,7 @@ "description": "Total electronic energy calculated with XC_method_scf during the scf iterations is stored in a list", "dtypeStr": "f", "name": "energy_total_scf_iteration_list", - "shape": [], + "shape": [-1], "superNames": [ "section_single_configuration_calculation" ]