XAS - Tutorial: Difference between revisions

Latest revision as of 09:05, 21 February 2024

Overview > XANES in Diamond > List of tutorials

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:

XANES in Diamond

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+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 explains how to calculate the X-ray absorption spectrum (XAS) of a given compound. More precisely we are interested in the edge and near edge region of the compound. 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.