Links

List of collaborators and friends

Institutions where I have studied and/or worked.

La Facultad de Ciencias Físico Matemáticas, U.A.N.L. (Mexico).

Unidad Mérida del Centro de Investigación y de Estudios Avanzados, CINVESTAV (Mexico).

l’Institut Lumière Matière, Lyon (France).

Theory Department of Max Planck Institute of Microstructure Physics, Halle (Germany).

Department Physik Universität Basel.

 

My favourite DFT codes:

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.

BigDFT is a massively parallel electronic structure code (GPL license) that uses a  wavelet basis set. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation). GTH or HGH pseudopotentials are used to remove the core electrons. It has a powerful Poisson solver based on a Green function formalism, useful for periodic systems, surfaces and isolated systems can be simulated with the proper boundary conditions. It runs faster in GPUDirect architectures.

ELK is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features.