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Linear and non-linear responses of solids with the ABINIT software : phonons, electric fields, and other perturbations
April 26, 2010 to April 30, 2010
Location :
CECAM-HQ-EPFL, Lausanne, Switzerland
Details
Participants
Program
Lectures
Files
Introduction to DFT, plane-waves, iterative methods
Xavier Gonze
Introduction to the PAW approach
François Jollet
, Bernard Amadon
Practical DFT implementation within ABINIT
Xavier Gonze
, Razvan Caracas
Generation of PAW potentials and basis
Bernard Amadon
Polarization, Berry phase and calculations in finite electric fields
Josef Zwanziger
Basics of density functional theory and linear responses to electric fields and atomic displacements.
Gian-Marco Rignanese
Phonon dispersion curves, interatomic force constants and thermodynamic properties
Philippe Ghosez
Phonon symmetry : Irreducible representation
Gian-Marco Rignanese
Static non-linear optical responses : Raman susceptibilities, non-linear optical susceptibilities, electro-optic tensor
Philippe Ghosez
Elastic and piezoelectric responses
Razvan Caracas
Electron-phonon coupling
Matthieu Verstraete
Polarization, Berry phase and finite electric fields
Josef Zwanziger