Fix: conv hard code thr for now

Author: Flying-dragon-boxing

source/source_esolver/esolver_ks_pw.cpp

@@ -623,7 +623,7 @@ void ESolver_KS_PW<T, Device>::iter_finish(UnitCell& ucell, const int istep, int
                 double dexx = exx_helper.cal_exx_energy(this->kspw_psi);
                 exx_helper.set_psi(this->kspw_psi);
                 dexx -= exx_helper.cal_exx_energy(this->kspw_psi);
-                double exx_ene_thr = 1e-5;
+                double exx_ene_thr = 3e-5;
                 conv_esolver = std::abs(dexx) < exx_ene_thr || exx_helper.exx_after_converge(iter);
                 std::cout << "dexx = " << dexx << std::endl;
                 if (!conv_esolver)