fix bug in band

Author: root

src/abacusagent/modules/band.py

@@ -379,15 +379,13 @@ def abacus_cal_band(abacus_inputs_path: Path,
                     "message": "The band is calculated using PYATB after SCF calculation using ABACUS"}
 
         elif mode == 'nscf':
-            modified_params = {'calculation': 'nscf',
-                               'init_chg': 'file',
-                               'out_band': 1,
-                               'symmetry': 0}
-            remove_params = ['kspacing']
-            modified_input = abacus_modify_input(work_path,
-                                                 extra_input = modified_params,
-                                                 remove_input = remove_params)
-
+            input_params["calculation"] = "nscf"
+            input_params["init_chg"] = "file"
+            input_params["out_band"] = 1
+            input_params["symmetry"] = 0
+            input_params['kspacing'] = None
+            WriteInput(input_params, os.path.join(work_path, "INPUT"))
+            
             # Prepare line-mode KPT file
             kpt_file = os.path.join(work_path, input_params.get('kpt_file', 'KPT'))
             shutil.copy(band_kpt_file, kpt_file)