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PLATO (computational chemistry)

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PLATO (Package for Linear-combination of ATomic Orbitals) is a suite of programs for electronic structure calculations originally designed and written by Andrew Horsfield and Steven Kenny, but now with contributions from others. It receives its name from the choice of basis set (numeric atomic orbitals) used to expand the electronic wavefunctions.

PLATO is a general purpose electronic structure code for the efficient modelling of materials. The methods it includes are tight-binding (both orthogonal and non-orthogonal, allowing for monopole charges and electron spin), and Density functional theory (both in the Local Density Approximation and the Generalized Gradient Approximation). The program can be applied to systems with periodic boundary conditions in three dimension (crystals) and those with none (molecules).

See also