parsing output error

[Swarnadip Mukherjee]

Hi Team,

parse_output works fine for vacancy defects, but as it enters the folder for substitutional defects (say, C replaces a host atom) it throws error in the form:

analyze_GGA_chempots
    chem_lims[key][Element(sub_el)]
KeyError: Element C

Any idea on the possible causes?

[PyCDT forum]

It's very hard to specify the issue with such little data