Abinit 4.4.3
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Abinit 4.4.3 Ranking & Summary
File size:
9.5 MB
Platform:
Mac OS X
License:
GPL
Price:
Downloads:
822
Date added:
2006-02-13
Publisher:
The ABINIT Group
Abinit 4.4.3 description
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.
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.
Abinit 4.4.3 Screenshot
Abinit 4.4.3 Keywords
Abinit 4.4.3
ABINIT
Total energy
Electronic structure
Charge Density
density
structure
systems
total
nuclei
energy
Abinit 4.4.3
Math & Science
Education
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Abinit 4.4.3 Copyright
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