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abinit - Online in the Cloud

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abinit - Ab initio atomic-scale simulation software


abinit < input file > log file


abinit is an atomic-scale simulation software and is part of the ABINIT project.

ABINIT is a package the 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).

By default abinit reads an info block from standard input and logs run-time messages to
standard output, while writing the results of the simulation to a file specified in the
info block. The format of this info block is described in abinit.files(5) .


This man page is correct for the version 4.5 of ABINIT.

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