#1 Thu Oct 11, 2018 11:45 pm
Registered: Oct 2018
I am trying to use the XYG3 functional in QCHEM 5.1 with:
Unfortunately, the XYG3 keyword is not recognised, although in section 5.9 of the QCHEM 5.1 manual, the XYG3 keyword is shown.
Has anybody had difficulties with this?
Thanks very much,