The package LMTO ELECTRONS is the first edition of programs implementing full-potential linear-muffin-tin-orbital method for electronic--structure calculations. Three versions of the full-potential code are available which use essentially the same input files. (Some data in the input file are ignored for one or another version). NMTASA code: overlapping atomic spheres, potential is non-spherical inside the spheres, no interstitial region. Fast and dirty, provides reasonably good bands, but is not sufficiently acurate for phonons and distortions. NMTCEL code: unit cell is divided into polyhedra, potential is expanded in the spherical harmonics inside the polyhedra. Has intermediate computation speed and provides reasonable accuracy for many phonon/elastic problems provided that the structure is reasonably close packed. NMTPLW (plane waves) code: non-overlapping muffin-tin (MT) spheres, potential is expanded in spherical harmonics inside the spheres and Fourier transformed in the interstitial region. Provides the best accuracy at the price of increasing the computation time.
The description of these implementations can be found in:
S. Y. Savrasov, Phys. Rev. B 54, 16470 (1996);
S. Y. Savrasov and D. Y. Savrasov,Phys. Rev. B 46, 12181 (1992).