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HPC Module: dftbplus

Synopsis

Adds the DFTB+ software to your environment.

About This Software
Official Site https://dftbplus.org
Tags

Installed Versions

Version Install Date Default?
21.2 2022-02-07

Description

DFTB+ is an implementation of the Density Functional-based Tight Binding (DFTB) method, containing many extensions to the original method. The development is supported by various groups, resulting in a code that is probably the most versatile DFTB-implementation, with some unique features not available in other implementations so far.

Category

Library Programming Software SysAdmin