Today published online the phonon visualization website. This project aims to provide a simple way to visualize the lattice vibrations of different materials.
This is the continuation of the work of Raul Weber during an internship in the University of Luxembourg during 2 months under the supervisions of Ludger Wirtz …
read moreLately I started using Yambo to calculate GW corrections and optical absorptions spectra of some materials. As any of you that run this type of calculations before can testify, the convergence tests can sometimes be a rather daunting task. To help with that we created yambopy, a python library to …
read moreRecently I gave a small contribution to the fantastic phonopy package: an interface to use the forces calculates with the Siesta code.
This interface allows the user to generate a set of supercells with some atomic displacements. After executing Siesta to obtain the force constants, the interface is able to …
read more