diff --git a/source/module_io/read_input_item_elec_stru.cpp b/source/module_io/read_input_item_elec_stru.cpp index 910b59ac18..a5343fbee2 100644 --- a/source/module_io/read_input_item_elec_stru.cpp +++ b/source/module_io/read_input_item_elec_stru.cpp @@ -290,6 +290,10 @@ void ReadInput::item_elec_stru() { ModuleBase::WARNING_QUIT("ReadInput", "nspin should be 1, 2 or 4."); } + else if(para.input.nspin == 4 && !para.input.noncolin && !para.input.lspinorb) + { + ModuleBase::WARNING_QUIT("ReadInput", "nspin should be 4 only when noncolin or lspinorb is true."); + } }; this->add_item(item); }