DFTmagnetism

Band Unfolding for Quantum-Espresso code

6

Dear Sir/Madam, I would like to inquire about the usage of the PyProcar tool for unfolding band structures in conjunction with the Quantum Espresso code. Additionally, I am interested in...

Error for complicated material

4

Dear Sir/Madam, I found an error. "File ~/anaconda3/lib/python3.11/site-packages/pyprocar/io/qe.py:196, in QEParser._parse_pdos(self, pdos_in_filename, dirname) 193 with open(pdos_in_filename, "r") as f: 194 pdos_in = f.read() --> 196 self.pdos_prefix = re.findall("filpdos\s*=\s*'(.*)'", pdos_in)[0] 197 self.proj_prefix...