diff --git a/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json b/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json index 9d5b6d2e3ebc0f9efc6f317ad3beaeb24ab3aab1..c859d9c5fd633174f1d712a463f361546f908763 100644 --- a/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json @@ -7,6 +7,15 @@ "relativePath": "meta_types.nomadmetainfo.json" }], "metaInfos": [ + { + "description": "Extra SCF without electronic history at the end of relaxation. Triggered in magnetic simulations when relax converges to non-magnetic solution", + "name": "x_qe_extra_SCF", + "dtypeStr": "b", + "shape": [], + "superNames": [ + "section_single_configuration_calculation" + ] + }, { "description": "Name of program from Quantum Espresso suite", "name": "x_qe_program_name",