I’m new to Q-Chem with only a bit of Gaussian experience before that. I tried myself at the molecular junction test input file (in C:\QChem\5.3.1\samples\ecp\tchem-c6.in) for version 5.3.1.
I can’t figure out how to get the wanted output files such as
• transmission.txt (Transmission function in the requested energy window)
• TDOS.txt (Total density of states)
• current.txt (I-V plot only for the Landauer level)
despite the active print command (at least for the latter two)
Can anyone verify or dispute this?
Thank you very much already!