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Electronic Properties Tutorials

In the present section, we introduce the most common operations supported on our platform for performing electronic structure computations on materials, implemented through the Density Functional Theory model.

Band Structure

We review the procedure for computing the electronic band structure of crystalline samples in this tutorial.

Band Gap

The calculation of the band gap is the object of a separate discussion.

Band Gap via GW Approximation

This distinct tutorial illustrates how the results for a band gap computation can be further improved and made to be more accurate through the use of the GW Approximation.

Density of States

We also offer instructions on how to evaluate the electronic Density of States under this other tutorial page.

Charge Density Mesh

Finally, we conclude our review of the electronic properties of materials by covering a tutorial page dedicated to the computation of the Electronic Charge Density Mesh.

HSE Calculations

In this other tutorial, we demonstrate how the use of the hybrid HSE functional can yield more accurate results for the example case of a band-gap computation.

Fermi Surface

We review the steps involved in the calculation and visualization of the Fermi Surface of metallic crystalline samples such as copper under this page.