The density-functional toolkit, DFTK for short, is a library of Julia routines for playing with plane-wave density-functional theory (DFT) algorithms. In its basic formulation it solves periodic Kohn-Sham equations. The unique feature of the code is its emphasis on simplicity and flexibility with the goal of facilitating methodological development and interdisciplinary collaboration.
@article{DFTKjcon, author = {Michael F. Herbst and Antoine Levitt and Eric Cancès}, doi = {10.21105/jcon.00069}, journal = {Proc. JuliaCon Conf.}, title = {DFTK: A Julian approach for simulating electrons in solids}, volume = {3}, pages = {69}, year = {2021}, }
Density Function Theory, Plane Wave Density,
Curator: eowre