I am trying to use pymatgen to run Critic2 to compute some Bader charges for atoms in a structure. I have Critic2 installed (and have carried out the Bader charge integration within it without problem). Looking at the documentation, it would appear that the Critic2Analysis object would be the appropraite way to do so, however, I am not sure what the “stdout” or “cpreport” types should be. The source code link results in a 404 error, so I thought I would ask here. I also don’t understand the relationship, if any, to the Critic2Caller object. Some better documentation (or source access) would help here. Thanks for the help!
Critic2Analysis (structure, stdout=None, stderr=None, cpreport=None, yt=None, zpsp=None )[source]