Visualizaing Vasprun.xml files

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Transcript Visualizaing Vasprun.xml files

Vibrational Analysis Supported formats: Gaussian & ADF Output files

Selecting Spectra to Plot If output file contains frequencies information user can select available spectra to plot To select available properties to chart use left mouse button

Animating Frequencies To inspect displacement vectors and/or animate frequencies use “Analyze” Menu

Animating Frequencies 1) To inspect displacement vectors and/or animate frequencies select frequency from the table 2) Check corresponding checkbox(es) to inspect displacement vectors and/or animate frequencies

Inspecting Displacement Vectors

Plotting Spectra Use combobox to select spectrum to plot and press “Show Spectrum” button to plot selected spectrum