Category:Linear response

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Revision as of 11:34, 19 July 2022 by Karsai (talk | contribs)

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.