Path to file should be checked
Traceback (most recent call last):
File "/var/home/nholle/Dokumente/Git/PyRHEED/src/scenario.py", line 359, in run_scenario
self.sub_CIF_scenario(
File "/var/home/nholle/Dokumente/Git/PyRHEED/src/scenario.py", line 383, in sub_CIF_scenario
self.simulation.get_cif_path(self.config[section]["cif_path"])
File "/var/home/nholle/Dokumente/Git/PyRHEED/src/simulate_RHEED.py", line 1346, in get_cif_path
self.add_sample_data(self.structure_index)
File "/var/home/nholle/Dokumente/Git/PyRHEED/src/simulate_RHEED.py", line 1549, in add_sample_data
self.structure_dict[index] = CifParser(self.cifPath).get_structures(
^^^^^^^^^^^^^^^^^^^^^^^
File "/var/home/nholle/.local/lib/python3.11/site-packages/pymatgen/io/cif.py", line 304, in __init__
self._cif = CifFile.from_file(filename)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/var/home/nholle/.local/lib/python3.11/site-packages/pymatgen/io/cif.py", line 277, in from_file
with zopen(str(filename), "rt", errors="replace") as f:
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/var/home/nholle/.local/lib/python3.11/site-packages/monty/io.py", line 45, in zopen
return open(filename, *args, **kwargs) # pylint: disable=R1732
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] Datei oder Verzeichnis nicht gefunden: 'C:/Google Drive/Documents/Manuscripts/TMDCs on sapphire/DFT/Buffer Layer/S-CONTCAR-No-Buffer.cif'