That reminds me of this issue An running error in fsapt.py · Issue #2281 · psi4/psi4 · GitHub . Please check that your data (fsapt/ dir) and your analysis script (fsapt.py) are from the same, preferably recent, version.
That reminds me of this issue An running error in fsapt.py · Issue #2281 · psi4/psi4 · GitHub . Please check that your data (fsapt/ dir) and your analysis script (fsapt.py) are from the same, preferably recent, version.