static is a code which evaluates the total energy, and optionally the electronic structure, of a crystal or cluster, using a parametrized Slater-Koster method. A database of Tight-Binding Parameters is available for use with static, or the code may be modified to use an alternative parametrization scheme. Both serial and parallel machines (using the Message Passing Interface (MPI) standard) can use the same source code.

static is not designed to do molecular dynamics. For tight-binding molecular dynamics of metals, see the TBMD Home Page.

static was developed as part of the DoD-Parallel Tight-Binding Molecular Dynamics program of the Common HPC Software Support Initiative (CHSSI), under the Computational Chemistry and Materials Science (CCM) Computational Technology Area (CTA).

Version 1.25 is a minor upgrade of the previously released version 1.11. (Versions between 1.11 and 1.25 were judged not ready for release.) For a description of the changes, see About Version 1.25.

The static code is available to registered users. To register, please see Obtaining the Source Code, or visit the CHSSI CCM-3/6 online registration page.

Table of Contents

• Introduction
• About Version 1.25
• Installation
• List of Files
• Usage
  • examples
  • Equation of State and Elastic Constants for hcp structures
  • CCM-3 Beta Test Problem
  • Elastic Constants for Cubic Materials
  • Calculation of Phonon Frequencies by the Supercell Method.
  • Scripts and Auxillary Programs
• Input Files
  • List of Predefined Lattice Types
  • List of Predefined Lattice Strains
• Output Files
• Trouble Shooting
• Appendix
  • Useful Programs
  • Legal Disclaimers

A DoD CCM workshop was held at the HEAT Center in Churchville, MD, 19-23 July 1999. The static notes are from this workshop are available these formats:

• HTML Format
• Gzipped Postscript Format. You made need to use the ``Swap Landscape'' option on your postscript viewer to see this properly.

A DoD CCM workshop was held at the HEAT Center in Churchville, MD, 8-12 June 1998. Here are the

• Viewgraphs in HTML format
• Color Viewgraphs in gzipped Postscript format (workshop.ps.gz)
• B/W version of above (same as handouts) (workshop.bw.ps.gz)
• Viewgraphs in DVI format format (workshop.dvi)
  • gzipped Postscript figure for above (c.ps.gz)
• The working directory for the workshop example

Legal Stuff:

This manual, the source code for static, shell scripts, Perl scripts and gnuplot scripts used in the examples section, the Center for Computational Materials Science (CCMS)-developed programs listed in the Appendix, and any other programs developed by the CSTB and referred to in this manual are covered by the following disclaimer:

This software and any accompanying documentation are released "as is." The U.S. Government makes no warranty of any kind, expressed or implied, concerning this software and any accompanying documentation, including without limitation, any warranties of merchantability or fitness for a particular purpose. In no event will the U.S. Government be liable for any damages, including any lost profits, lost savings, or other incidental or consequential damages arising out of the use, or inability of use, of this software or any accompanying documentation, even if informed in advance of the possibility of such damages.

Current URL: http://cst-www.nrl.navy.mil/bind/static/