Crgra2006 - Graphical Package

The package CrGraph processes data written by CRYSTAL09 in fortranunit 25, to give graphic outputs in postscript language. The paper sizeis A4 (210x297 mm), in portrait mode. The maximum size of the plot is 180x270mm.

The routines for plotting band structures, contour maps (charge andspin density, electrostatic potential) and density of states are antiqueand no authorship can be traced. The present version is derived from aPC version implemented by Mauro Causa`, and adapted with the insertionof the postscript driver by Ales Zupan. Molecular structure plottingadded by Bartolomeo Civalleri.

Three scripts are supplied:

  • maps06 to draw contour maps
  • bands06 to plot band structures
  • doss06 to plot total and projected density of states

The CrGraph2006 package can be downloaded asa tar file.

The user's manual is available in postscript format.

Information request about Crgra2006 should be addressed to: Crgra2006 c/o CRYSTAL Torino team.