Manual:External utilities:Visualization

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Every given number of time iterations, or after ground-state calculations, some of the functions that characterise the system may be written to disk so that they may be analized. Files are written within static/ output directory after the self-consistent field, or within td.x/ directories, during evolution, where “x” stands for the iteration number at which each write is done.

The function that you want to plot is selected by the Output variable and the output format is chosen by the OutputHow.

dx

This is an OpenDX network, aimed at the visualization of wave-functions. To be able to use it, you need to have properly installed the OpenDX program, as well as the Chemistry extensions developed at the Cornell Theory Center (http://www.tc.cornell.edu/Services/Visualization/). Please take a look here to see how to obtain and install this software.

Once these are working, you may follow a the tutorial tutorial for the benzene molecule