VisualizationSoftware/Gaussview

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Gaussview

Version

Gaussview 5.0

Reference

Basic Gaussview Info

Gaussview is visualization software maintained by Gaussian. With GaussView, one can create input files, view output files and summarizes results for Gaussian jobs. With our current implementation of GaussView, it is important to note one may make input file but cannot submit them to phoenix . Gaussview is not set up to interact with Phoenix's queuing system.


To open a Gaussview session type:

gv 

First to set up a calculation with Gaussview:

Click view and select builder and use the builder toolbar to build your desired molecule.

Once you are finished, to set up the calculation, click calculation and select Gaussian Calculation Setup. The first tab is job type. Next is the method tab, her you can select ground state or excited state, your desired wavefunction, spin, basis set, charge and multiplicity. Title is just your comment line for the file. Link 0 is where you can specify Memory, checkpoint file and the number of processors. Once you have your calculation setup, hit the Retain button at the bottom. Then select File, save as and save your desired input.

As for viewing outputs, open Gaussview and go file open. Open your existing log file. Under the results tab, there are a variety of info based on the type of calculation run. As a quick note, to view different optimization steps, when opening the file make sure the Read Intermediate Geometries box is checked.

For more info about Gaussview click here.

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