Category:Linear response: Difference between revisions

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*Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: {{TAG|LEPSILON}}.  
*Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: {{TAG|LEPSILON}}.  
*Frequency dependent dielectric properties: {{TAG|LOPTICS}}.
*Berry phases and finite electric fields: {{TAG|Berry phases and finite electric fields}}.
*Calculation of X-ray abpsorption spectra (XAS): {{TAG|XAS theory}}.


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


*Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: {{TAG|LEPSILON}}.
*Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: {{TAG|LEPSILON}}.
*Frequency dependent dielectric properties: {{TAG|LOPTICS}}.
*Berry phases and finite electric fields: {{TAG|LBERRY}}, {{TAG|LCALCEPS}}.
*XAS (XANES) spectra from the super-cell core-hole method: {{TAG|SCH calculations}}.


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[[Category:VASP|Linear response]]
[[Category:VASP|Linear response]]

Revision as of 11:34, 19 July 2022

Theory

  • Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: LEPSILON.
  • Frequency dependent dielectric properties: LOPTICS.
  • Berry phases and finite electric fields: Berry phases and finite electric fields.
  • Calculation of X-ray abpsorption spectra (XAS): XAS theory.

How to

  • Static dielectric matrix, ion-clamped piezoelectric tensor and the Born effective charges using density functional perturbation theory: LEPSILON.
  • Frequency dependent dielectric properties: LOPTICS.
  • Berry phases and finite electric fields: LBERRY, LCALCEPS.
  • XAS (XANES) spectra from the super-cell core-hole method: SCH calculations.

Subcategories

This category has the following 5 subcategories, out of 5 total.