revalue ecutwfc by basis_type and add a check

Author: WHUweiqingzhou

source/module_io/read_input_item_system.cpp

@@ -262,6 +262,24 @@ void ReadInput::item_system()
         Input_Item item("ecutwfc");
         item.annotation = "energy cutoff for wave functions";
         read_sync_double(input.ecutwfc);
+        item.reset_value = [](const Input_Item& item, Parameter& para) {
+            if (para.input.ecutwfc == 0){
+                if (para.input.basis_type == "lcao")
+                {
+                    para.input.ecutwfc = 100;
+                }
+                else
+                {
+                    para.input.ecutwfc = 50;
+                }
+            }
+        };
+        item.check_value = [](const Input_Item& item, const Parameter& para) {
+            if (para.input.ecutwfc <= 0)
+            {
+                ModuleBase::WARNING_QUIT("ReadInput", "ecutwfc should be positive");
+            }
+        };
         this->add_item(item);
     }
     {

source/module_parameter/input_parameter.h

@@ -33,7 +33,7 @@ struct Input_para
     int kpar = 1;                   ///< ecch pool is for one k point
     int bndpar = 1;                 ///< parallel for stochastic/deterministic bands
     std::string latname = "none";   ///< lattice name
-    double ecutwfc = 50;            ///< energy cutoff for wavefunctions
+    double ecutwfc = 0;            ///< energy cutoff for wavefunctions
     double ecutrho = 0;             ///< energy cutoff for charge/potential
 
     int nx = 0, ny = 0, nz = 0;    ///< three dimension of FFT wavefunc