Welcome to the LR-nb project.

This project contains a series of Jupyter notebook and Python modules with the aim of creating a series of algorithm useful for extracting linear response properties of various operators.

The project is structured in folder as follows:

KPM (Kernel Polynomial methods)

Lanczos method Here we find the experiences about the well-knows Haydock recursion method to find matrix elements of the resolvent. The folder contains the following didacting notebooks:

• Symmetric (Hermitian) matrices
• Arbitrary Matrices
• Analysis of Gram-Schimdt orthogonalization procedure for Hermitian matrices

STATIC ELECTRIC FIELDS

Analysis of the effect of a static electric field, computed by using the tool of BigDFT. The aim of this analysis is to find a set of values for both the magnitude of the field and the dimension of the simulation box that are suitable for the linear response formalism.

To be continued...