Category:XAS: Difference between revisions
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'''Important''': All XAS are only available from VASP.6.0 or higher. | '''Important''': All XAS are only available from VASP.6.0 or higher. | ||
To get familiarized with X-ray absorption spectroscopy (XAS) calculations one should read the theory behind the method and do the following tutorial: {{TAG|XAS - Tutorial}}. | |||
Currently only the super-cell core-hole method is implemented in VASP for XAS. | |||
The [[:SCH calculations|how to]] gives an overview of the steps needed to perform XAS calculations within the super cell. | |||
== Theoretical background == | == Theoretical background == | ||
* | *Theoretical backroung for XAS calculations: {{TAG|XAS theory}}. | ||
== How to == | == How to == | ||
*XAS (XANES) spectra from the super-cell core-hole method: {{TAG|SCH calculations}}. | *XAS (XANES) spectra from the super-cell core-hole method: {{TAG|SCH calculations}}. | ||
== Tutorial == | |||
*Tutorial to perform XAS calculations: {{TAG|XAS - Tutorial}}. | |||
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[[Category:VASP|XAS]][[Category:Dielectric Properties]][[Category:VASP]][[Category:VASP6]] | [[Category:VASP|XAS]][[Category:Dielectric Properties]][[Category:VASP]][[Category:VASP6]] | ||
Revision as of 07:53, 2 March 2020
Important: All XAS are only available from VASP.6.0 or higher.
To get familiarized with X-ray absorption spectroscopy (XAS) calculations one should read the theory behind the method and do the following tutorial: XAS - Tutorial. Currently only the super-cell core-hole method is implemented in VASP for XAS. The how to gives an overview of the steps needed to perform XAS calculations within the super cell.
Theoretical background
- Theoretical backroung for XAS calculations: XAS theory.
How to
- XAS (XANES) spectra from the super-cell core-hole method: SCH calculations.
Tutorial
- Tutorial to perform XAS calculations: XAS - Tutorial.
Pages in category "XAS"
The following 10 pages are in this category, out of 10 total.