RMGDFT

News: V2.2.2 released on 10/14/2017 with minor bug fixes.

News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon.

News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available.

RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.

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