Siesta_Interface.m File Reference

Creates the Hamiltonians and overlap integrals from the loaded data from the Siesta package. More...

Go to the source code of this file.

Functions
	function ()

Detailed Description

Creates the Hamiltonians and overlap integrals from the loaded data from the Siesta package.

Definition in file Siesta_Interface.m.

Function Documentation

function()

function

(

)

Available

EQuUs v4.9.... or later

Parameters

WorkingDir	is declared in the input, this is where the SIESTA files are to be found
Param	contains input parameters
q	k-point, where the Hamiltonian and Overlap matrices should be constructed

Returns

The Leads' H0 and H1 as HL0, SL0, HL1, SL1, the hamiltonian of the scattering part as HSC and SSC and coupling between the scattering region and the leads as Hc and SC. Coordinates and the Fermi energy is returned as well.