GAUSSIAN SOFTWARE TUTORIALS HOW TO
In this new tutorial, we will see how to load the Gaussian output file that resulted from the calculation. Each one focuses on a specific Gaussian capability and the GaussView features that support it. That tutorial finished with the creation of a Gaussian input file.
GAUSSIAN SOFTWARE TUTORIALS SERIES
The videos in this series are for intermediate to advanced users of Gaussian and GaussView. Then if you use 50 GB in the script (5120MB), use 49GB in the actual Gaussian input file, to leave 1 GB for the cluster itself to use. NBO can require a lot of memory so use if on Grace, use the example script in the Gaussian folder. You will learn how to set up any type of Gaussian calculation you desire, including specifying additional input sections that may be required. NBO is a part of the regular Gaussian module so no special module is needed. Introduces the fundamentals of using GaussView 6:ĭemonstrates basic Molecule building and manipulation tools available in GaussView 6:ĭiscusses methods for selecting atoms in GaussView 6:ĭiscusses the controls in the Gaussian Calculation Setup dialog, including all of its various panels and buttons. They cover very basic concepts and operations with the application. See chapter 9 of Foresman15 for a detailed tutorial about preparing PDB files for use with the ONIOM facility in Gaussian. The videos in this series are for beginning users of GaussView. Thompson14 and Petrone16 are excellent studies of GFP using the previous version of Gaussian. Illustrates how to view and customize predicted spectra: They are all recommended for new to intermediate GaussView users.ĭemonstrates the basics of building molecules in GaussView:ĭiscusses setting up and running Gaussian jobs with GaussView:Ĭovers examining basic results from Gaussian calculations:ĭemonstrates visualizing MOs, surfaces and other volumetric data:
The first three videos are best viewed in order. It will always result in the exact same average wait time and queue abandon rate given the same inputs. Tutorial Data menu and select Gas Station. These videos cover GaussView 6’s most commonly-needed features in under an hour total. Gaussian process models are used in computer experiments. We always announce new videos on our LinkedIn blog and our Twitter feed. The descriptions on YouTube contain detailed tables of contents for each video, including section timestamps.Ĭheck back regularly as we add new content often. We’ve organized them into series reflecting the target user’s experience level.Īll of our videos are on our YouTube channel and our YOUKU channel. Geostokos Ecosse specialises in the publication and supply of educational books, courses and software for the estimation of spatial phenomena using statistics and geostatistics. This page contains descriptions and links for all of the tutorial videos we have produced.
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