You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to NWChem Forum
I have recently been doing some benchmarking of different functionals for singlet-triplet energy gaps. For 1 out of the 10 molecules I'm testing, the NWChem output file is not complete and displays this error message at the end:
This happens both with the PBE0 and B3LYP functionals. I cannot see anything wrong with the molecule in particular. Does anyone know what this error means?
Edoardo Aprà
unread,
Jul 12, 2024, 12:43:59 PMJul 12
Reply to author
Sign in to reply to author
Forward
Sign in to forward
Delete
You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message