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Using Interactive Using Interactive Charting Charting Gaussian Output, ADF Output, Gaussian Output, ADF Output, Vasprun.xml files Vasprun.xml files
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Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Dec 22, 2015

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Page 1: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Using Interactive ChartingUsing Interactive Charting

Gaussian Output, ADF Output, Vasprun.xml filesGaussian Output, ADF Output, Vasprun.xml files

Page 2: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Selecting Interactive ChartingSelecting Interactive Charting

CheckBox for Interactive CheckBox for Interactive Charting should be selectedCharting should be selected

To select available To select available properties to chart use properties to chart use left mouse buttonleft mouse button

To select multiple To select multiple terms to chart use left terms to chart use left mouse button and hold mouse button and hold down Shift or Ctrl keydown Shift or Ctrl key

Page 3: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Charting Multiple TermsCharting Multiple Terms

Selection of multiple terms Selection of multiple terms will produce a chart with will produce a chart with several Y-Axesseveral Y-Axes

Page 4: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

To visualize snapshots To visualize snapshots use several methodsuse several methods

Crosshair shows current snapshot

Table shows current, Table shows current, previous and next values previous and next values for the total energyfor the total energy

Drag sliderDrag slider

Use animation Use animation controlscontrols

Left-mouse click in Left-mouse click in the plot areathe plot area

Page 5: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Chart ControlsChart Controls

Point cursor on the plot area Point cursor on the plot area and do right-mouse-clickand do right-mouse-click

To save chart as a PNG image

To print chart

Page 6: Using Interactive Charting Gaussian Output, ADF Output, Vasprun.xml files.

Chart Controls: Chart Controls: Properties DialogProperties Dialog

Using Chart Properties dialog user can change title, label and other parameters of the chart