update get_pchg and get_wf

Author: mohanchen

source/module_io/get_pchg_pw.h

@@ -46,7 +46,7 @@ void get_pchg_pw(const std::vector<int>& bands_to_print,
     // Check if length of bands_to_print is valid
     if (static_cast<int>(bands_to_print.size()) > nbands)
     {
-        ModuleBase::WARNING_QUIT("ESolver_KS_PW::get_pchg_pw",
+        ModuleBase::WARNING_QUIT("ModuleIO::get_pchg_pw",
                                  "The number of bands specified by `bands_to_print` in the "
                                  "INPUT file exceeds `nbands`!");
     }
@@ -56,7 +56,7 @@ void get_pchg_pw(const std::vector<int>& bands_to_print,
     {
         if (value != 0 && value != 1)
         {
-            ModuleBase::WARNING_QUIT("ESolver_KS_PW::get_pchg_pw",
+            ModuleBase::WARNING_QUIT("ModuleIO::get_pchg_pw",
                                      "The elements of `bands_to_print` must be either 0 or 1. "
                                      "Invalid values found!");
         }

source/module_io/get_wf_lcao.cpp

@@ -68,19 +68,21 @@ void Get_wf_lcao::begin(const UnitCell& ucell,
     ModuleBase::GlobalFunc::OUT(GlobalV::ofs_running, "On-the-fly memory consumption (MB)", mem_size);
 
     int mode_norm = 0;
-    if (nbands_istate > 0 && static_cast<int>(out_wfc_norm.size()) == 0)
+    const int norm_size = static_cast<int>(out_wfc_norm.size();
+
+    if (nbands_istate > 0 && norm_size) == 0)
     {
         mode_norm = 1;
     }
-    else if (static_cast<int>(out_wfc_norm.size()) > 0)
+    else if (norm_size > 0)
     {
         // If out_wfc_norm is not empty, set mode to 2
         mode_norm = 2;
         std::cout << " Notice: INPUT parameter `nbands_istate` overwritten by `out_wfc_norm`!" << std::endl;
     }
 
     // Set this->bands_picked_ according to the mode
-    select_bands(nbands_istate, out_wfc_norm, nbands, nelec, mode_norm, fermi_band);
+    this->select_bands(nbands_istate, out_wfc_norm, nbands, nelec, mode_norm, fermi_band);
 
     // Calculate out_wfc_norm
     for (int ib = 0; ib < nbands; ++ib)
@@ -153,7 +155,7 @@ void Get_wf_lcao::begin(const UnitCell& ucell,
     }
 
     // Set this->bands_picked_ according to the mode
-    select_bands(nbands_istate, out_wfc_re_im, nbands, nelec, mode_re_im, fermi_band);
+    this->select_bands(nbands_istate, out_wfc_re_im, nbands, nelec, mode_re_im, fermi_band);
 
     if (out_wfc_pw || out_wfc_r)
     {
@@ -325,7 +327,7 @@ void Get_wf_lcao::begin(const UnitCell& ucell,
     }
 
     // Set this->bands_picked_ according to the mode
-    select_bands(nbands_istate, out_wfc_norm, nbands, nelec, mode_norm, fermi_band);
+    this->select_bands(nbands_istate, out_wfc_norm, nbands, nelec, mode_norm, fermi_band);
 
     // Calculate out_wfc_norm
     for (int ib = 0; ib < nbands; ++ib)