Fixed memory leaks and output bugs according to #6515 and #6518. (#6585)

* fix memory leak (#6515)

* fix output bug (#6518)

---------

Co-authored-by: dzzz2001 <[email protected]>

Author: zgn-26714

source/module_elecstate/elecstate_print.cpp

@@ -146,7 +146,7 @@ void print_scf_iterinfo(const std::string& ks_solver,
     {
         buf += FmtCore::format(td_fmt[i].c_str(), values[i]);
     }
-    std::cout << buf;
+    std::cout << buf<< std::fflush;
 }
 /// @brief print and check for band energy and occupations
 /// @param ofs

source/module_hamilt_lcao/module_gint/gint.cpp

@@ -261,10 +261,10 @@ void Gint::transfer_DM2DtoGrid(std::vector<hamilt::HContainer<double>*> DM2D) {
         for (int iat = 0; iat < ucell->nat; iat++) {
             iat2iwt[iat] = ucell->get_iat2iwt()[iat]/2;
         }
-        Parallel_Orbitals *pv = new Parallel_Orbitals();
-        pv->set(mg, ng, nb, blacs_ctxt);
-        pv->set_atomic_trace(iat2iwt.data(), ucell->nat, mg);
-        this-> DM2D_tmp = new hamilt::HContainer<double>(pv, nullptr, &ijr_info);
+        Parallel_Orbitals pv{};
+        pv.set(mg, ng, nb, blacs_ctxt);
+        pv.set_atomic_trace(iat2iwt.data(), ucell->nat, mg);
+        this-> DM2D_tmp = new hamilt::HContainer<double>(&pv, nullptr, &ijr_info);
         this-> DM2D_tmp->set_zero();
 #else
         if (this->DM2D_tmp != nullptr) {
@@ -300,6 +300,8 @@ void Gint::transfer_DM2DtoGrid(std::vector<hamilt::HContainer<double>*> DM2D) {
             this->DMRGint[is]->add(*(this->DM2D_tmp));
 #endif
         }
+        delete this->DM2D_tmp;
+        this->DM2D_tmp = nullptr;
 
     }
     ModuleBase::timer::tick("Gint", "transfer_DMR");