I am trying to read a CONTCAR file using pymatgen, to be used in calculating Bispectrum. I am using Structure.from_file() that creates a Structure object of pymatgen.core.structure module. However while using this object in further work, i can see "AttributeError: symbol_set", though i can print structure.symbol_set without error. Is there any way to handle this?
Can you post the section of code you’re using, along with the full error traceback please?
Hi,I figured this out today! I had to supply the structure file as a list , and not just the elements. The particular function takes only list as its input!!