This directory contains programs or scripts that can be helpful
in connection with the program SIESTA:

vpsa2bin:    Converts formatted pseudopotential files to unformatted.
vpsb2asc:    Converts unformatted pseudopotential files to formatted.

Plrho/plrho: Plots in 3D the electron density and other functions 
             calculated by siesta (by Jose M. Soler)
Denchar:     Produces 2D grid for maps, contour plots etc. of charge 
             and spin density, and of wave-functions. 
             Based on the density matrix and basis orbitals (by J. Junquera)
	     Only the documentation and the examples are provided here. The
             code can be compiled in the Src directory by typing 'make denchar'.
Contour:     grid2d: As Denchar but for any function defined in the 3D grid.
             grid1d: Extracts a 1D line of data out of the 3D grid.
             Based on the 3D grid (by E. Artacho)
Contrib:     Code contributed by Siesta users (expanding collection). See
             the individual documentation materials.
MD:          Some sample scripts for the extraction of some MD information from
             the output file (by A. Garcia)
Vibra:       Package to compute phonon frequencies and modes (by P. Ordejon)
Optical:     Calculation of optical properties (by P. Ordejon)
PyAtom:      Some Python scripts for plotting and data extraction (by A. Garcia)
pdosxml:     Utility to process the PDOS file (in XML format). (by A. Garcia)
readwf:      Converts wavefunction coeffs file to readable form (by P. Ordejon)
plstm:       Simple program for STM simulations (by P. Ordejon)
gnubands:    Utility for simple band structure (and phonon dispersion) plots.
grid2cube:   Converts Siesta grid files to Gaussian Cube (by P. Ordejon)
sies2arc:    Converts output coordinates to the arc movie format (by J. Gale)
Macroave:    Macroscopic averaging for interfaces and surfaces (by J. Junquera)

SiestaSubroutine: Code and examples of the driving of Siesta by an external
                  agent.

Other useful resources:

Directory Tutorials/Bases contains examples and scripts to help
in the generation of basis sets and KB projectors.

Forthcoming: Scripts and other tools to use the information in XML format
             produced by the program.
