Course: Electronic properties of semiconductors by AB-INITIO Profesor: Dr. Raciel Jaimes López  (Postdoctoral at IER-UNAM) Simulation of water molecule formation using Burai 1.3 and Quantum Espresso Viewer by Jmol Last month I attended the course Electronic properties of semiconductor by AB-Initio at IER-UNAM, on the 1st day we had a quick view about the background of DFT (Density Functional Theory), plane waves and pseudopotentials. During the course, we learn about the open-code Quantum Espresso software which is used for electronic-structure calculation and materials modeling at nano-scale. Here I share the  methodology I follow for the example water-molecule   Install  BURAI1.3…