XAS - Tutorial

From VASP Wiki

This tutorial explains how to calculate the X-ray absorption spectrum (XAS) of a given compound in particular the edge and near edge region. The respective spectroscopy is often called XANES (X-ray absorption near edge structure) or NEXAFS (near edge X-ray absorption fine structure).

This tutorial requires VASP 6.0 or higher.

The tutorial is made of the following parts: