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Commit d311164

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fix branch cases
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+11
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source/module_io/read_input_item_elec_stru.cpp

Lines changed: 11 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -325,8 +325,17 @@ void ReadInput::item_elec_stru()
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item.annotation = "whether to use k-point continuity for initializing wave functions";
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read_sync_bool(input.use_k_continuity);
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item.check_value = [](const Input_Item& item, const Parameter& para) {
328-
if (para.input.basis_type != "pw") {
329-
GlobalV::ofs_warning << "use_k_continuity only works for PW basis" << std::endl;
328+
if (para.input.use_k_continuity && para.input.basis_type != "pw") {
329+
ModuleBase::WARNING_QUIT("ReadInput", "use_k_continuity only works for PW basis");
330+
}
331+
if (para.input.use_k_continuity && para.input.calculation == "nscf") {
332+
ModuleBase::WARNING_QUIT("ReadInput", "use_k_continuity cannot work for NSCF calculation");
333+
}
334+
if (para.input.use_k_continuity && para.input.nspin == 2) {
335+
ModuleBase::WARNING_QUIT("ReadInput", "use_k_continuity cannot work for spin-polarized calculation");
336+
}
337+
if (para.input.use_k_continuity && para.input.esolver_type == "sdft") {
338+
ModuleBase::WARNING_QUIT("ReadInput", "use_k_continuity cannot work for SDFT calculation");
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}
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};
332341
this->add_item(item);

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