Running NCIplot with Iodine atom poses problem. I shows the following error. I am using Ubuntu Bionic Beaver. For sake of confirmation, I ran different calculations of other molecular systems, they ran well, however systems containing I atom produces error.
Multiwfn (http://sobereva.com/multiwfn) fully supports all forms of NCI analyses (standard version, promolecular version and averaged NCI) and all elements in the periodic table, it is fairly easy to use and fast, I suggest you have a try. This kind of analysis is clearly introduced and illustrated in Section 3.23.1 of the Multiwfn manual.
Compatibility with ECP-containing basis sets can sometimes be an issue. Try using the DGDZVP basis set when you generate the *wfn file. If this fails, switch to the promolecular mode to generate the cube files
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