Topic: “Gaussian16 and NBO7 on Graham and Cedar”
Speaker: Jemmy Hu, SHARCNET
Gaussian 16.C01 is the latest in the Gaussian series of programs available on Graham and Cedar clusters. Natural Bond Orbital (NBO) is a separately licensed post-processing program performs the analysis of complex molecular orbitals in terms of localized electronic-pair bonding units. Recently we integrated the new NBO7 with the latest g16.c01 version on the clusters.
In this seminar, we will give a brief review and update on how to use G16 and NBO7 on Graham and Cedar. We will address a few common issues to better understand the software input/output file structure and tips to run the software on the clusters more efficiently. This seminar is for Gaussian users, particularly for those who do not have extensive experience in running Gaussian jobs on Compute Canada clusters.
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