Try to find non mainfiles in more directories.

octopusparser/parser_octopus.py

@@ -478,9 +478,11 @@ def parse_without_class(fname, backend, parser_info):
             else:
                 input_units = 'bohr'
 
-            staticdir, _info = os.path.split(fname)
-            inpdir, _static = os.path.split(staticdir)
-
+            parent_dir, _ = os.path.split(fname)
+            inpdir = parent_dir
+            # try to read files from the same or parent directory
+            while True:
+                try:
                     if 'PDBCoordinates' in coordinfo:
                         atoms = read(os.path.join(inpdir, coordinfo['PDBCoordinates']), format='proteindatabank')
                     elif 'XYZCoordinates' in coordinfo:
@@ -496,6 +498,13 @@ def parse_without_class(fname, backend, parser_info):
                     elif 'rcoords' in coordinfo:
                         # unit will be Bohr cf. handling of cell above
                         coords = np.dot(coordinfo['rcoords'], cell)
+                except FileNotFoundError as e:
+                    if inpdir == parent_dir:
+                        inpdir, _ = os.path.split(inpdir)
+                    else:
+                        raise e
+                else:
+                    break
 
             if atoms is not None:
                 coords = atoms.positions / Bohr