The long term goal of this project is to document all the codes we are using daily in our lab. So, this page will gradually build up. Codes are grouped by their origin.

Apart from the tools listed here, we work at the moment on adding Green's Function formalism to our own DV machinery, bringing kinetic Monte Carlo method into the lab, and shaping our homegrown codes into a more integrated and interactive atomistic/DF whole.

Homegrown Codes

GSA - Generalized Simulated Annealing

DV - Discrete Variational DF Code :

• SCF - Self-Consistent Field Package
• PRO - Properties Package
• ETO - Total Energy Package

Adopted Codes

GULP - Generalized Utility Lattice Program | official site

ADF - Amsterdam Density Functional | official site

VASP - Vienna Ab-Initio Simulation Package | official site

WIEN2K - Vienna LAPW Band Structure | official site