Information

Official site

https://www.questaal.org/

License

Available freely. Registration is needed.

Availability

Unix/Linux

Core Developers

Mark van Schilfgaarde (King’s College London)

Target substance/model

Metals, insulators, semiconductors, magnetism, dielectric materials, strongly-correlated electron systems, interface/surface

Methodology

DFT (Density Functional Theory), LDA (Local Density Approximation), LAPW, LMTO, GW method, PMT, quasiparticle self-consistent GW method, DMFT (Dynamical Mean-Field Theory)

Parallelization

k-point parallel calculation is supported.

Related keywords
Other

ecalj: A part of the Questaal package is implemented by the ecalj code.