.dat -> .txt

Author: maki49

docs/advanced/input_files/input-main.md

@@ -1978,7 +1978,7 @@ These variables are used to control the output of properties.
 
 - **Type**: Boolean
 - **Description**: Generate output files used in rpa calculations.
-- **Note**: If [`symmetry`](#symmetry) is set to 1, additional files containing the necessary information for exploiting symmetry in the subsequent rpa calculation will be output:  `irreducible_sector.dat`, `symrot_k.dat` and `symrot_R.dat`
+- **Note**: If [`symmetry`](#symmetry) is set to 1, additional files containing the necessary information for exploiting symmetry in the subsequent rpa calculation will be output:  `irreducible_sector.txt`, `symrot_k.txt` and `symrot_R.txt`
 - **Default**: False
 
 ### out_pchg

source/source_lcao/module_ri/RPA_LRI.hpp

@@ -96,7 +96,7 @@ void RPA_LRI<T, Tdata>::cal_postSCF_exx(const elecstate::DensityMatrix<T, Tdata>
         // set Lmax of the rotation matrices to max(l_ao, l_abf), to support rotation under ABF
         symrot.set_abfs_Lmax(GlobalC::exx_info.info_ri.abfs_Lmax);
         symrot.cal_Ms(kv, ucell, *dm.get_paraV_pointer());
-        // output Ts (symrot_R.dat) and Ms (symrot_k.dat)
+        // output Ts (symrot_R.txt) and Ms (symrot_k.txt)
         ModuleSymmetry::print_symrot_info_R(symrot, ucell.symm, ucell.lmax, Rs);
         ModuleSymmetry::print_symrot_info_k(symrot, kv, ucell);
         mix_DMk_2D.mix(symrot.restore_dm(kv, dm.get_DMK_vector(), *dm.get_paraV_pointer()), true);

source/source_lcao/module_ri/module_exx_symmetry/irreducible_sector.cpp

@@ -148,7 +148,7 @@ namespace ModuleSymmetry
         if(GlobalV::MY_RANK == 0)
         {
             std::ofstream ofs;
-            ofs.open(PARAM.globalv.global_out_dir + "irreducible_sector.dat");
+            ofs.open(PARAM.globalv.global_out_dir + "irreducible_sector.txt");
             for (auto& irap_irR : this->irreducible_sector_)
             {
                 for (auto& irR : irap_irR.second){ofs << "atompair (" << irap_irR.first.first << ", " << irap_irR.first.second << "), R = (" << irR[0] << ", " << irR[1] << ", " << irR[2] << ") \n";}

source/source_lcao/module_ri/module_exx_symmetry/symmetry_rotation_output.cpp

@@ -15,7 +15,7 @@ namespace ModuleSymmetry
         const int lmax_ao, const std::vector<TC>& Rs)
     {
         ModuleBase::TITLE("ModuleSymmetry", "print_symrot_info_R");
-        std::ofstream ofs(PARAM.globalv.global_out_dir + "symrot_R.dat");
+        std::ofstream ofs(PARAM.globalv.global_out_dir + "symrot_R.txt");
         // Print the irreducible sector (to be optimized)
         ofs << "Number of irreducible sector: " << symrot.get_irreducible_sector().size() << std::endl;
         ofs << "Lmax of AOs: " << lmax_ao << "\n";
@@ -54,7 +54,7 @@ namespace ModuleSymmetry
     void print_symrot_info_k(const Symmetry_rotation& symrot, const K_Vectors& kv, const UnitCell& ucell)
     {
         ModuleBase::TITLE("Symmetry_rotation", "print_symrot_info_k");
-        std::ofstream ofs(PARAM.globalv.global_out_dir + "symrot_k.dat");
+        std::ofstream ofs(PARAM.globalv.global_out_dir + "symrot_k.txt");
         ofs << "Number of IBZ k-points (k stars): " << kv.kstars.size() << std::endl;
         ofs << "Format:\n" << "The symmetry operation index to the irreducible k-point. For the irreducible k-points, isym=0.\n\n"
             << "(The direct coordinate of the original k-point)\n"