Si, rho+elf, 0.06 a.u. (pvargas, 2001)
GaAs, rho+elf, 0.0055 a.u. (pvargas, 2001)

 

LMTO COURSE

The method LMTO (Linear Muffin Tin Orbitals) is one of the most popular and widespread first principles method to calculate the full electronic structure of solids, surfaces and clusters, it is based on the Density Functional Theory (DFT) in the Local Density Approximation (LDA) to treat the exchange and correlation. The LMTO method in its Tight Binding formulation (TB-LMTO) is itself suitable to extract on-site and off-site Hamiltonian parameters as starting point to more elaborate many body calculations. In addition, the program delivers tools for analyzing the electronic structure and chemical bonding such as: Orbital-projected band structures, COHPs for describing bond strengths, and electron localization functions (ELFs)

Ove Jepsen, from the Max-Planck Institut for Solid State Physics in Stuttgart, one of the creators of LMTO will join us in a two weeks visit in November and he is willing to give a three days LMTO crash course. The computer codes are easy to compile using almost any unix based operating system (like linux). The code is extremely fast, user-friendly, hardware-independent, and free of charge. The course language will be English.

The course is limited to 20 participants. The lectures will be held at the University of Santiago, Physics Department, from Monday 12 through Wednesday 14 of November, from 10:00 to 12:30 approximately. During the afternoons practical sessions are planed, we will provide a set of linux based PC's to facilitate the participants to perform calculations in a "do it yourself" scheme.

Please make contact soon in order to reserve sites, we are already almost complete. For immediate contact and further information please click on the telephone-icon in the left hand side of this webpage.

(pvargas, september 2001)