ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors, based on DensityFunctional Perturbation Theory, and many more properties. Excited states can be computed within the ManyBody Perturbation Theory (the GW approximation and the BetheSalpeter equation), and TimeDependent Density Functional Theory (for molecules).  
License:  Free Academic License 
OS:  Linux, Mac, and Windows 
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