Bulk Modulus and Equation of State Calculation using Quantum ESPRESSO and CrysX [TUTORIAL]
Channel: Phys Whiz
Date: 2019-04-24

In this video I describe the procedure of evaluating the Bulk Modulus as well as the Equation of state (Murnaghan, Birch Murnaghan, Vinet) using QE and CrysX, an Android App.

CrysX: Crystallographic Tools : https://play.google.com/store/apps/details?id=com.bragitoff.powderdiffractionsimulator

Relevant files used in the video can be found here: 
https://www.bragitoff.com/wp-content/uploads/2019/04/Bulk-Modulus-Fe.zip

Blog post: https://www.bragitoff.com/2018/10/bulk-modulus-calculation-using-quantum-espresso/

Useful applications:

CrysX-AR https://play.google.com/store/apps/details?id=com.bragitoff.crysxar

CrysX-3D Viewer 
https://play.google.com/store/apps/details?id=com.bragitoff.CrysXViewer

I'm Manas Sharma, a Computational Condensed Matter Physicist.