Abstract:

This document describes how to install and run the TB-LMTO program version 47 under UNIX.

The development of this program has been managed by Ole Krogh Andersen; the first version was constructed mostly by Mark van Schilfgaarde during 1987-88. Over the years the following people (in alphabetic order) have written, corrected or made additions to the program: Vladimir Antonov, Peter Braun, Armin Burkhardt, Volker Eyert, Georges Krier, Toni A. Paxton, Andrei Postnikov, Andreas Savin, R. W. Tank. The latest major revisions and additions are due to the people below the title.

This document was written by Ove Jepsen. Questions or comments should be directed to Yoshiro Nohara (Y.Nohara@fkf.mpg.de) or Ole Krogh Andersen (oka@fkf.mpg.de).

For use of this program see the License agreement in Section XII.

Version 47 was last updated August 2000.

This documentation was written in LaTeX2e and can be printed with version 3.0 of the REVTEX macros.

The linear muffin-tin orbital (LMTO) method has been described in numerous publications. For a description of the LMTO method in general see Ref. 1, the tight-binding (TB) version see Ref. 2, the down-folding technique Ref. 3, the tetrahedron method Ref. 4, accuracy using overlapping spheres Ref. 5, and a detailed example Ref. 6. Some useful books are also worth mentioning: The Mathematical Theory of Symmetry in Solids, Ref. 7, contains among other things all the Brillouin zones, International Tables for Crystallography, Ref. 8, contains all crystallographic space groups and Pearson's Handbook of Crystallographic Data for Intermetallic phases, Ref. 9, contains structural data for many compounds and elements.