Ab initio Calculations Using Wien2k Code

Showing posts with the label Polarization CalculationsShow All

Polarization Calculations

Tutorial 5: Weyl points characterization in TaAs

In this tutorial, we calculate the chirality of Weyl points (using WIEN2K density functional package) pr…

Polarization Calculations

Here we compute the polarization difference between wurtzite (W) and zinc-blende (ZB) structure of GaN. T…

Polarization Calculations

GaAs (2-atom basis) Here we perform calculation of a Born effective charge in GaAs. When lattice angles are not 90 deg, a complication arises d…

Tutorials

1- Definition of Electric Polarization: There exists a Electric Polarization when the centers of the positive and negative charges in the crystal …

Video

First: What's Polarization? For more information check the following link: http://susi.theochem.tuwien.ac.at/reg_user/textbooks/WIEN2…