Dielectric properties from first principles | VASP Lecture

Pedro Melo introduces introduces calculating the dielectric function within VASP, covering linear response theory, time-dependent density functional theory (TDDFT), and the different algorithms available for computing optical properties in VASP. The lecture on the optical gap referred to by Merzuk Kaltak is available to watch here: https://youtu.be/6F_WNIh6V7I 0:00:00 Introduction 0:01:03 Outline 0:01:31 Dielectric function - materials under and external electric field 0:04:45 Intermission 1 0:05:20 Linear response theory - introduction 0:09:19 Linear response theory - micro-macro connection 0:11:14 Linear response theory - longitudinal vs transverse functions 0:15:43 Linear response theory - the optical limit 0:16:57 Intermission 2 0:17:53 Dyson equation for the response function 0:19:45 TDDFT 0:24:07 Computing the response function 0:30:18 Treating the Coulomb potential 0:31:16 Physical meaning of the dielectric function 0:32:38 Intermission 3 0:33:52 Computing optical properties with VASP - the ground-state 0:35:45 Computing optical properties with VASP - ALGO = CHI 0:38:31 Computing optical properties with VASP - ALGO = TDHF 0:47:48 Computing optical properties with VASP - ALGO = TIMEEV 0:51:29 Intermission 4 0:53:26 Summary 0:54:26 References