Crgra2006 - Graphical Package

The package CrGraph processes data written by CRYSTAL09 in fortran unit 25, to give graphic outputs in postscript language. The paper size is A4 (210x297 mm), in portrait mode. The maximum size of the plot is 180x270 mm.

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

Three scripts are supplied:

The CrGraph2006 package can be downloaded as a 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.