Last Modified 26 March 2002

SCTB: A Charge Self-Consistent Tight-Binding Total Energy Evaluation Code

Version 0.8

sctb is a code that evaluates the total energy, atomic forces, and virial, as well as the electronic structure of a collection of atoms. The configuration can be a cluster, or, using periodic boundary conditions, a crystal or an amorphous system. It uses parameter files almost identical to those used by the static and TBMD codes. A database of parameters sets is available at Tight-Binding Parameters. A serial version and a k-point parallel version are currently available.

sctb developed by Noam Bernstein

Table of Contents

sctb Home Page   Introduction   About Version 0.80   Installation   List of Files   Usage   Input Files   Output Files   Trouble Shooting   Appendix
Noam Bernstein bernstei@dave.nrl.navy.mil
Code 6390, Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375