Download FULL-POTENTIAL PROGRAM PACKAGE"LMTART" USER`s MANUAL

² ASA: overlapping atomic spheres, potential is non-spherical inside the spheres, no interstitial
region. Fast and dirty: provides reasonably good bands, but is not su±ciently accurate for
phonons and distortions.
² PLW (plane waves): non-overlapping mu±n-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. A short description of this method
can be found in Ref. [6].
² FTB - tight binding regime. If hopping integrals are explicitly speci¯ed, LMTART can run in
tight-binding mode.
About the notations in this document:
² all ¯le names like nio.ini, main.exe, are boldfaced.
² all directory names like /lmtart/run/ are italicized.
² capitalized names like INIFILE, STRFILE are made to shorten references to the MAIN INPUT
CONTROL FILE (for INIFILE), STRUCTURE CONTROL FILE (for STRFILE), etc.
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