Before going to the installation of the code, we need to learn about the Tight-Binding (TB) method and also about the Linear Muffin Tin Orbilats (LMTO) method

Tight-Binding Approach

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method (linear combination of atomic orbitals method) used in chemistry. Tight-binding models are applied to a wide variety of solids. The model gives good qualitative results in many cases and can be combined with other models that give better results where the tight-binding model fails. Though the tight-binding model is a one-electron model, the model also provides a basis for more advanced calculations like the calculation of surface states and application to various kinds of many-body problem and quasiparticle calculations. 

Ref: Wikipedia

 

LMTO Method

To learn about the lmto method check the following link:

Introduction to LMTO method

 

Donwloading

You can download the package from the following link:

 https://drive.google.com/file/d/19v9w10uWf_j5qwi23Z93D2eDb1lHVifd/view?usp=sharing


Installation

/abinitio > cd lmto47.1b 
/abinitio/lmto47.1b > make

 

Add the path to the  ~/.bashrc file

#---------lmto path----------------------------------
export LMTOROOT=/home/algerien1970/abinitio/lmto47.1b
export PATH=$PATH:$LMTOROOT
#--------------------------------------------------------