fix after rebase

maki49 · Oct 16, 2024 · 218e8ad · 218e8ad
1 parent 68158c9
commit 218e8ad
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp
@@ -58,7 +58,8 @@ elecstate::DensityMatrix<std::complex<double>, double> Force_LCAO<std::complex<d
 {
 
     // construct a DensityMatrix object
-    elecstate::DensityMatrix<std::complex<double>, double> edm(&kv, &pv, nspin);
+    const int nspin_dm = nspin == 2 ? 2 : 1;
+    elecstate::DensityMatrix<std::complex<double>, double> edm(&pv, nspin_dm, kv.kvec_d, kv.get_nks() / nspin_dm);
 
     //--------------------------------------------
     // calculate the energy density matrix here.