Description
Abinit is a complete package that enables you to use pseudopotentials and a planewave basis to discover the electronic structure, charge density and total energy of various systems within Density Functional Theory or DFT for short.
On top of that, Abinit also helps you perform molecular dynamics simulations using the DFT stresses and forces.
You can also optimize the geometry and even generate dielectric tensors, dynamical matrices and Born effective charges based on the Density-Functional Perturbation Theory.
Abinit is capable of computing excited states within the Many-Body Perturbation Theory or Time-Dependent Density Functional Theory.
User Reviews for Abinit FOR MAC 1
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for Abinit FOR MAC
Abinit FOR MAC provides advanced capabilities for electronic structure calculations and molecular dynamics simulations. A must-have tool for DFT research.