Can I implement semi-emprical methods or new basis set parameters in psi4? and how?

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  1. I want to use AM1 /PM3 or PM6 methods in psi4 can I do it? if I can, how can I do it :slight_smile:
  2. I want to perform PM3 methods for iron. Here is PM3 method’s parameters for iron : https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.20403
    but I don’t know how to implenet it in psi4?
  3. Can I use other basis sets from this site: https://www.basissetexchange.org and how?
    I really searched this but I couldn’t find. If in tutorial there is something about this please let me know and forgive me to open this topic but I really need this.
    Thank you so much …
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PSI4 does not support any semi-empirical methods.

The manual section about user basis sets is here and the basis set exchange offers psi4 format (which is basically gaussian format)
http://psicode.org/psi4manual/master/basissets.html#user-defined-basis-sets