Add downloading of the tip density, fix -E parameter.

examples/pyridineDensOverlap/example_pyridine_density_overlap.py

@@ -22,8 +22,16 @@ def example_pyridine_density_overlap():
         with zipfile.ZipFile("sample.zip", "r") as zip_ref:
             zip_ref.extractall(".")
 
-    generate_conv_rho(["-s", "LOCPOT.xsf", "-t", "tip/CHGCAR.xsf", "-B", "1.0", "-E"])
-    generate_elff(["-i", "LOCPOT.xsf", "--tip_dens", "tip/CHGCAR.xsf", "--Rcore", "0.7", "--energy", "--doDensity"])
+    if not Path("tip/density_CO.xsf").exists():
+        urllib.request.urlretrieve("https://zenodo.org/records/14222456/files/CO_tip.zip?download=1", "tip.zip")
+        # Unzip the file using python tools only
+        with zipfile.ZipFile("tip.zip", "r") as zip_ref:
+            # Make "tip" directory if it does not exist
+            Path("tip").mkdir(exist_ok=True)
+            zip_ref.extractall("tip")
+
+    generate_conv_rho(["-s", "LOCPOT.xsf", "-t", "tip/density_CO.xsf", "-B", "1.0", "-E"])
+    generate_elff(["-i", "LOCPOT.xsf", "--tip_dens", "tip/density_CO.xsf", "--Rcore", "0.7", "--energy", "--doDensity"])
     generate_dftd3(["--input", "LOCPOT.xsf", "--df_name", "PBE"])
 
     relaxed_scan(