Graphs

Working with graphs

All graphs in p4vasp offer a set of features for navigation and export. These functions are accessible from the graph toolbar:

  • First three buttons allow to autoscale the graph - in both axes, only x-axis or only y-axis.
  • Icon with magnifying glass allows to zoom in and out by three different actions:
    • Left mouse click - zoom in
    • Right mouse click - zoom out
    • Hold (any) mouse button and drag to select a rectangle. Graph will zoom into this rectangle.
  • Selecting the arrow cross icon (fifth button) will allow to move the graph. Hold mouse button and drag to move the origin of the graph.
  • Graph values can be read by the pick tool.
  • Camera button will export the graph in multiple formats with an automatically generated name, (e.g. graph0001.agr, graph0001.ps, graph0001.dat). Files will be saved in the current working directory (directory from which p4vasp was started). This is useful to quickly make snapshots. When you need more control on which files and formats should be used, select Graph/Export. Graph can be exported into following formats:
    • raw data
    • XmGrace agr file - contains the graph layout. We recommend to save graph in this format and to use XmGrace or its forks to view and edit the agr files and eventually to create the production plots.
    • Postscript
    • Encapsulated postscript
    • XFig
    • Scalable Vector Graphics.
  • Pin/unpin button allows to pin down the current selected system. This is useful when comparing multiple VASP results side by side.
  • Ext. button - puts graph into an external window. Useful e.g. when you want to have several graph windows open side by side.