A new poster on our work on real-time density polarization functional theory. In presence of a time-dependent macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic polarization P as key quantities. We show that a simple… Read More
A 18 month post-doctoral position is available, from September 1st 2016, at the “Laboratoire d’Etude des Microstructures” (http:// http://lem.onera.fr/) in strong collaboration with the “Centre Interdisciplinaire de Nanoscience de Marseille” (http://www.cinam.univ-mrs.fr/), as part of the European Union Graphene Flagship project (http://graphene-flagship.eu/). Since graphene takeoff in the 2000’s, the field of two-dimensional systems has been gradually… Read More
We are organizing the first “Marseille Condensed Matter Workshop” on Optical and Magnetic properties of complex materials from the 12th to the 14th September at CINaM (Marseille). The aim of the workshop is to bring together researchers working on different research communities to promote exchange and share research experiences. More info can be found there:… Read More
We present a new paper on Density Functional Polarization Theory (DFPT). This theory is an extension of Time-Dependent-DFT where the exchange correlation functional depends not only from the density but also from the polarization P. Thanks to this explicit dependence on P it is possible solve different problems of TD-DFT in periodic systems with a… Read More
This year I participated to the cake contest organized in Marseille for the PI-day. Although my cake the PI-ramisù has reported considerable success I did not win the competition. I enjoyed the PI-day, next year I will try again to win the competition with a better cake. Here below a photo of the other cakes. During… Read More
Here I present the BSE input file for yambo and I will discuss the meaning of each parameter. For a discussion on convergence issues see my post: Reasonable parameters for Yambo calculations. To generate this input type yambo -o b -k sex -y d -p p -V qp. I will not discuss the parameters relative… Read More
Example of a yambo input file for GW calculation in a solid. In order to generate the following input file you can use the command “yambo -g n -p p -V par” with yambo 4.0.2 (and with yambo 3.4.2 “yambo -g n -p p”). gw0 # [R GW] GoWo Quasiparticle energy levels ppa #… Read More
The GDR-REST (Research group on Theoretical Spectroscopy) is organizing its first general meeting from the 23rd to the 27th of May 2016, here the website for all details. The GDR-REST meeting aims to bring together different communities of theoretical spectroscopy which are/were historically separated, but unified under a very precise and important subject: the excited-states… Read More
Here I report some advices to choose reasonable parameters in order to converge different kind of calculations with the Yambo code. The following parameters are a reasonable recommendation. However you have to remember that convergence can be different from system to system, so you should check your calculations and not use the following parameters blindly…. Read More
Since October 2015 I’m in charge of the Theory Seminars at CINAM. If you are in Marseille and you are interested in Condensed Matter Physics, have a look to our seminar page. We organize a new seminar every two weeks, with internal or invited speakers. If you would like to present your research in our… Read More