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Learn advanced concepts in Density Functional Perturbation Theory (DFPT) through this 29-minute lecture focusing on forces, response functions, and phonons in the third part of the series. Explore the theoretical foundations and practical applications of DFPT in materials science, examining how perturbation theory can be applied to calculate vibrational properties and response functions in crystalline systems. Delve into the mathematical framework underlying force calculations and understand how DFPT enables efficient computation of phonon spectra and other dynamic properties of materials without requiring large supercells or finite difference approaches.
Syllabus
Stefano Baroni — DFPT: forces, response functions and phonons Pt3
Taught by
Materials Cloud