|Posted on Friday, March 09, 2018 - 11:41 am: |
I'm having trouble displaying the molecular orbitals with the new revision (B.01) of Gaussian16. I run the same input file that generated displayable orbitals using G16 Rev A.03 and after upgrade to B.01 there is no option for orbital display.
Post Number: 606
|Posted on Friday, March 09, 2018 - 2:17 pm: |
If you email me a job archive (Job Manager, select job, hit "Download"), I can easily take a look. Probably just a tiny parsing tweak needed.
|Posted on Friday, March 09, 2018 - 4:51 pm: |
Thanks. I'll do that.
Interestingly, things work fine for display of NBO's but I assume that is parsed differently.
|Posted on Sunday, March 18, 2018 - 10:57 pm: |
Any update on orbital display from G16 Rev. B.01? Thanks!