Tags: tool:ABINIT


The ABINIT tool is used 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, using pseudopotentials and a planewave basis. ABINIT also can optimize the geometry according to the DFT forces and stresses, or perform molecular dynamics simulation using these forces, or generate dynamical matrices, Born effective charges, and dielectric tensors.

For more information on or to run this tool, click here.

Members (1-1 of 1)

  1. Benjamin P Haley

    Ben received his B.S. in Physics from Purdue in 1998. He worked for Cummins Engine Co and Intel before attending graduate school at UC Davis. He received a Masters in Engineering Applied...