Software
Octopus 5.0
Software: Octopus Versão: 5.0 Data: 30/11/2015 Ambiente: Planck Categoria: Simulações de dinâmica molecular DFT e ab initio Descrição: Octopus does many things in many different ways. This is a summary of what are the features that are currently implemented (some of them are only available in the development version). Theory:Density Functional Theory for ground-state calculations, …
Quantum-espresso
Software: espresso-5.1.1 Versão: 5.1.1 Data: 19/12/2014 Ambiente: Planck Categoria: Simulações de dinâmica molecular DFT e ab initio Descrição: Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform …