update output of pw documents

Author: mohanchen

source/source_esolver/esolver_fp.cpp

@@ -180,7 +180,7 @@ void ESolver_FP::after_scf(UnitCell& ucell, const int istep, const bool conv_eso
 		{
 			this->pw_rhod->real2recip(this->chr.rho_save[is], this->chr.rhog_save[is]);
 
-			std::string fn =PARAM.globalv.global_out_dir + "/chg";
+			std::string fn =PARAM.globalv.global_out_dir + "chg";
 
             std::string spin_block;
 			if(PARAM.inp.nspin == 2 || PARAM.inp.nspin == 4)
@@ -207,7 +207,7 @@ void ESolver_FP::after_scf(UnitCell& ucell, const int istep, const bool conv_eso
 
 			if (XC_Functional::get_ked_flag())
 			{
-				fn = PARAM.globalv.global_out_dir + "/tau";
+				fn = PARAM.globalv.global_out_dir + "tau";
 
                 fn += spin_block + ".cube";
 
@@ -228,7 +228,7 @@ void ESolver_FP::after_scf(UnitCell& ucell, const int istep, const bool conv_eso
 	{
 		for (int is = 0; is < PARAM.inp.nspin; is++)
 		{
-			std::string fn =PARAM.globalv.global_out_dir + "/pot";
+			std::string fn =PARAM.globalv.global_out_dir + "pot";
 
             std::string spin_block;
 			if(PARAM.inp.nspin == 2 || PARAM.inp.nspin == 4)
@@ -256,7 +256,7 @@ void ESolver_FP::after_scf(UnitCell& ucell, const int istep, const bool conv_eso
 	}
 	else if (PARAM.inp.out_pot == 2)
 	{
-		std::string fn =PARAM.globalv.global_out_dir + "/pot_es.cube";
+		std::string fn =PARAM.globalv.global_out_dir + "pot_es.cube";
 		ModuleIO::write_elecstat_pot(
 #ifdef __MPI
 				this->pw_big->bz,
@@ -398,7 +398,7 @@ void ESolver_FP::before_scf(UnitCell& ucell, const int istep)
         for (int is = 0; is < PARAM.inp.nspin; is++)
         {
             std::stringstream ss;
-            ss << PARAM.globalv.global_out_dir << "/chgs" << is + 1 << "_ini.cube";
+            ss << PARAM.globalv.global_out_dir << "chgs" << is + 1 << "_ini.cube";
             ModuleIO::write_vdata_palgrid(this->Pgrid,
                                           this->chr.rho[is],
                                           is,

source/source_io/write_cube.cpp

@@ -214,6 +214,9 @@ void ModuleIO::write_cube(const std::string& file,
 
     std::ofstream ofs(file);
 
+    // mohan add 2025-09-10
+    GlobalV::ofs_running << " Write data to file: " << file << std::endl;
+
     for (int i = 0; i < 2; ++i)
     {
         ofs << comment[i] << "\n";

source/source_io/write_elf.cpp

@@ -114,7 +114,7 @@ void write_elf(
         {
             std::string fn_temp = out_dir + "/elf";
 
-            fn_temp += fn_temp + std::to_string(is + 1) + ".cube";
+            fn_temp += std::to_string(is + 1) + ".cube";
 
             int ispin = is + 1;