How can I restart a job that was interrupted? Many Gaussian jobs that are stopped prematurely — e.g., due to a machine crash, a power failure, manually killing the job — can be restarted. These include geometry optimizations, frequency calculations, and...
FAQs How can I get a breakdown of the SCF or DFT energy into all its component parts? How can I restart a job that was interrupted? My optimization converged but the frequency calculation said it wasn’t. What’s up? How do I generate Natural Transition...
Gaussian 16W Reference The Default.Rou Configuration File Many default characteristics of Gaussian 16W may be specified in its configuration file, Default.Rou. This file is located in the main G16W directory; it is set up automatically for your system when the program...
Gaussian 16W Reference A number of utility programs are included with Gaussian 16W. They are accessible via the various items on the Utilities menu in the program’s main window. We will consider them here in the same order as they appear in that menu, beginning...
Gaussian 16W Reference The Preferences option from the File menu in the Job Processing window takes you to the Gaussian Preferences window. From here, you may set various file-location-related preferences and access the other preferences screens. These are the fields...
Gaussian 16W Reference The Edit Batch List Window The Edit Batch List window is used to create and modify batch control files, which have the extension .BCF. The Gaussian 16W batch processing facility is a mechanism for sequentially executing multiple Gaussian 16...
