Abinit
| Abinit is an electronic-structure code, representing the family of pseudopotential-plane-wave based methods. It has also a projector-augmented wave implementation. It features (time-dependent) density-functional-theory, density-functional perturbation theory, and Green-function based approaches based on many-body perturbation theory. Read more here. |  |
exciting
| exciting is a full-potential electronic-structure code representing the family of linearized augmented planewave + local-orbital (LAPW+lo) methods. It implements (time-dependent) density-functional theory, density-functional perturbation theory, and Green-function based approaches based on many-body perturbation theory with a particular focus on excitations. As an all-electron method, LAPW+lo treats valence and core electrons on the same footing. With proven micro-Hartree precision it serves also benchmarking approximations and other implementations. Read more here. |  |
FHI-aims
| FHI-aims is a quantum mechanics software package based on numeric atom-centered orbitals (NAOs) with broad capabilities for precise and efficient all-electron electronic-structure calculations and ab initio molecular dynamics. It is numerically precise across the periodic table and can handle periodic systems (i.e. extended models of solids, surfaces, and nanostructures) as well as nonperiodic systems (i.e. molecules and clusters). The code supports density-functional theory (DFT) with all relevant exchange-correlation functionals, and it is amenable to correlated methods beyond DFT, i.e. the random-phase approximation and many-body perturbation theory (e.g. GW), as well as wave-function based methods from quantum chemistry (MP2 and coupled-cluster theories). Read more here. |  |
GPAW
| GPAW is an electronic structure code based on the projector augmented wave (PAW) method for describing the ion potentials. Single-particle wave functions can be represented using three different types of basis sets: Plane waves, real space grids, and numerical atom-centered orbitals. In addition to density functional theory in the ground state and time-dependent forms, GPAW features linear response functions and many-body perturbation theory for excited states. Read more here. |  |