Questaal Software Suite

The Questaal software suite of electronic structure programs answers condensed matter theory questions about solid-state structures.

Questaal Workshop on Many-Body Perturbation Theory

NREL is hosting a hybrid workshop from our Golden, Colorado, campus. This multiday workshop will demonstrate the functionality and potential of the Questaal program, including interactive practical application. Learn more and register.

Questaal encompasses:

  • Code suite used to calculate the electronic structure and related properties of materials from first principles
  • Family of executables performing different functions
  • Potential vehicle for future developments in electronic structure.


Questaal was initially developed outside of NREL at the Max Planck Institute for Solid State Research and King's College London by Mark van Schilfgaarde. NREL is in the process of taking responsibility for the Questaal tool and updating it to our standards. However, Alliance for Sustainable Energy LLC, the manager and operator of NREL, and the Department of Energy are not responsible for the Questaal tool in its current form. Alliance for Sustainable Energy LLC and the Department of Energy make no representation or warranty regarding the accuracy of the Questaal tool or its fitness for a particular purpose. Any use of the Questaal tool is at the user's sole discretion and risk.


Questaal: A Package of Electronic Structure Methods Based on the Linear Muffin-Tin Orbital Technique, Computer Physics Communications (2020)

Questaal: Electronic Structure for the Future, Psi-k Scientific Highlight of the Month (2020)