Termination during Potential Surface Scans using CCSD(T) with ANO-DK3 basis set

4

I can’t reproduce the Be problem with my version of Psi4.

For beryllium, what version of Psi4 are you using? It will tell you at the start of your output file. See instruction 5 if you don’t know how to find it.

If you aren’t using version 1.3.2, try using a newer version of Psi4.