: Primarily used to find total energy and electronic structure in periodic solids using plane-wave basis sets.
: A popular suite for nanoscale simulations based on plane-wave basis sets and pseudopotentials. It is ideal for solid-state systems and is available for Linux, macOS, and Windows. dft software download
While some of these require a paid license for commercial use, many offer free versions for academic researchers. The Fundamentals Of Density Functional Theory Download : Primarily used to find total energy and