I’m a beginner on sapt calculations with psi4. I’ve been trying to compute the interaction energy between【SiS4】and cationic sodium.
The calculations goes well up to the point when it starts the sapt0 analysis. It turns out that psi4 stops
without indicating any reason for that. Here’s my input filesapt.in.txt (425 Bytes)
and here is my output file sisapt.inp.dat (34.9 KB)
Use a more updated version of Psi4. 1.1rc1 is severely out-of-date. You can get the latest 1.3 version here and the alpha release of 1.4 here.
Thank you for the suggestion.