2024-06-10
(2024-06-12) We fixed the module name
An internal user provided us with a site license for NBO7, the latest version of NBO that can be used in conjunction with Gaussian. It has been installed, so that all TSUBAME users can use it.
How to use:
Load NBO7 module as follows.
module load gaussian/16C2_cpu_NBO
Following keyword is requried in the input file.
pop=nbo7
For more details, please refer to the Gaussian site and manuals.