XAS - Tutorial: Difference between revisions

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Revision as of 13:37, 7 June 2019

(UNDER CONSTRUCTION)

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: