Description:

In this training session, take a first-hand look at:

• Optical properties derived from post DFT methods such as modified Becke-Johnson LDA and GW

• Accurate heats of formations obtained with ACFDT RPA

• How to include electron phonon coupling effects in the study of the change of the band gap with temperature

Tutorials:

• Introduction to MedeA VASP: Learn how to set up and run VASP first principles calculations with MedeA

• Calculate the Color of Cadmium Selenide and Cadmium Sulfide: Learn how to calculate the optical properties, such as color, of materials using an ab initio approach with MedeA VASP

• Electron Phonon Coupling: Study the phonon induced change of the GaAs band gap as a function of temperature 

• Obtain Accurate Heats of Formation for SiC with ACFDT RPA 

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