Category:XAS: Difference between revisions

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== Theoretical background ==
== Theoretical background ==


*Calculation of XAS spectra: {{TAG|XAS theory}}.
*Calculation of X-ray absoprtion spectra spectra (XAS): {{TAG|XAS theory}}.


== How to ==
== How to ==

Revision as of 12:15, 26 March 2019

Important: All XAS are only available from VASP.6.0 or higher.

Theoretical background

  • Calculation of X-ray absoprtion spectra spectra (XAS): XAS theory.

How to

XAS (XANES) spectra from the super-cell core-hole method: SCH calculations.



Contents

Pages in category "XAS"

The following 10 pages are in this category, out of 10 total.