add output of DFT+U energy term

Author: mohanchen

source/source_estate/elecstate_print.cpp

@@ -192,28 +192,52 @@ void print_etot(const Magnetism& magnet,
 	if( (iter % PARAM.inp.out_freq_elec == 0) || converged || iter == PARAM.inp.scf_nmax )
 	{
         int n_order = std::max(0, Occupy::gaussian_type);
+      
+        //! Kohn-Sham functional energy
         titles.push_back("E_KohnSham");
         energies_Ry.push_back(elec.f_en.etot);
+
+        //! Kohn-Sham energy with sigma->0
         titles.push_back("E_KS(sigma->0)");
         energies_Ry.push_back(elec.f_en.etot - elec.f_en.demet / (2 + n_order));
+
+        //! Harris functional energy
         titles.push_back("E_Harris");
         energies_Ry.push_back(elec.f_en.etot_harris);
+
+        //! band energy
         titles.push_back("E_band");
         energies_Ry.push_back(elec.f_en.eband);
+
+        //! one-electron energy
         titles.push_back("E_one_elec");
         energies_Ry.push_back(elec.f_en.eband + elec.f_en.deband);
+
+        //! Hartree energy
         titles.push_back("E_Hartree");
         energies_Ry.push_back(elec.f_en.hartree_energy);
+
+        //! exchange-correlation energy
         titles.push_back("E_xc");
         energies_Ry.push_back(elec.f_en.etxc - elec.f_en.etxcc);
+
+        //! Ewald energy
         titles.push_back("E_Ewald");
         energies_Ry.push_back(elec.f_en.ewald_energy);
+
+        //! entropy energy
         titles.push_back("E_entropy(-TS)");
         energies_Ry.push_back(elec.f_en.demet);
+
+        //! correction energy for scf
         titles.push_back("E_descf");
         energies_Ry.push_back(elec.f_en.descf);
-        titles.push_back("E_LocalPP");
+
+        //! local potential energy
+        titles.push_back("E_localpp");
         energies_Ry.push_back(elec.f_en.e_local_pp);
+
+        //! vdw energy
         std::string vdw_method = PARAM.inp.vdw_method;
         if (vdw_method == "d2") // Peize Lin add 2014-04, update 2021-03-09
         {
@@ -225,26 +249,42 @@ void print_etot(const Magnetism& magnet,
             titles.push_back("E_vdwD3");
             energies_Ry.push_back(elec.f_en.evdw);
         }
+
+        // mohan add 20251108
+		if (PARAM.inp.dft_plus_u)
+		{
+            titles.push_back("E_plusU");
+            energies_Ry.push_back(elec.f_en.edftu);
+		}
+
+        //! hybrid functional energy
         titles.push_back("E_exx");
         energies_Ry.push_back(elec.f_en.exx);
+
+        //! solvation energy
         if (PARAM.inp.imp_sol)
         {
             titles.push_back("E_sol_el");
             energies_Ry.push_back(elec.f_en.esol_el);
             titles.push_back("E_sol_cav");
             energies_Ry.push_back(elec.f_en.esol_cav);
         }
+
+        //! electric field energy
         if (PARAM.inp.efield_flag)
         {
             titles.push_back("E_efield");
             energies_Ry.push_back(elecstate::Efield::etotefield);
         }
+ 
+        //! gate energy
         if (PARAM.inp.gate_flag)
         {
             titles.push_back("E_gatefield");
             energies_Ry.push_back(elecstate::Gatefield::etotgatefield);
         }
 
+        //! deepks energy
 #ifdef __MLALGO
         if (PARAM.inp.deepks_scf)
         {