Plato: A localised orbital based density functional theory code

2019-12-06T07:34:59Z (GMT) by S.D. Kenny A.P. Horsfield
Abstract The Plato package allows both orthogonal and non-orthogonal tight-binding as well as density functional theory (DFT) calculations to be performed within a single framework. The package also provides extensive tools for analysing the results of simulations as well as a number of tools for creating input files. The code is based upon the ideas first discussed in Sankey and Niklewski (1989) [1] with extensions to allow high-quality DFT calculations to be performed. DFT calculations can utilise e... Title of program: Plato Catalogue Id: AEFC_v1_0 Nature of problem Density functional theory study of electronic structure and total energies of molecules, crystals and surfaces. Versions of this program held in the CPC repository in Mendeley Data AEFC_v1_0; Plato; 10.1016/j.cpc.2009.08.006 AEFC_v2_0; PLATO; 10.1016/j.cpc.2011.01.030 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)