My new tutorial on “Developing Yambo” is available online. This was possible thanks to the work of Myrta Gruning and Davide Sangalli that updated the tutorial to the last version of the code and completed some unfinished parts. In this tutorial we explain how to introduce new functionalities in the Yambo code. As example, inspired… Read More
Not working anymore in Yambo 4.5 but works in Yambo 5.x For molecules and also for molecular solids, the G0W0 approach often gives poor results. The main reason of this failure is the DFT starting point. In fact local or semi-local exchange correlation functionals give a too small gap compared with the experimental one, and… Read More
My new poster for the GBB60 conference is online, FIESTA: French Initiative for Electronic Simulations with Thousands of Atoms. The poster is about a GW and Bethe-Salpeter code developed in Grenoble that uses Gaussian bases and resolution-of-the-identity techniques. For more info in the code see the Fiesta web page: http://perso.neel.cnrs.fr/xavier.blase/fiesta/ See you in Rome.
I have to make a simple calculation with NWChem, so I downloaded it and tried to install on my notebook, here my impressions. The first impression of NWChen is not so good, they use their own installation precedure, that often fails, I really do not understand why they don’t use the standard Autoconf . At… Read More