Computational Chemistry DFT program

Edit Package abinit

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 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. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.

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Source Files
Filename Size Changed
_service 0000000206 206 Bytes
_service:download_url:abinit-8.0.8b.tar.gz 0071175893 67.9 MB
abinit.spec 0000001781 1.74 KB
Latest Revision
Huaren Zhong's avatar Huaren Zhong (zhonghuaren) committed (revision 15)
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