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David Koes edited paragraph_textit_Ab_initio_Calcuation__.tex
about 8 years ago
Commit id: 3b95c74a13568c2299a145da50b683ca23cb0f6c
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\paragraph{\textit{Ab initio}
Calcuation} Calcuation (Table~\ref{abinitio})}
ABINIT \cite{Gonze_2009} is a quantum package which is able to calculate the total energy, charge density and electronic structure of molecules and periodic solids within density functional theory (DFT) and Many-Body Perturbation Theory (MBPT), using pseudopotentials and a planewave or wavelet basis. ABINIT also can optimize the geometry, perform molecular dynamics simulations, or generate dynamical matrices, Born effective charges, and dielectric tensors and many more properties.