RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
he RMG developers are pleased to announce the release of version 4.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.0 is a major release that includes a number of new features, as well as bug fixes and performance enhancements. Version 4.0 provides support for stress calculations, non-collinear magnetism, spin-orbit coupling, DFT+U, hybrid functionals and exact exchange, as well as an interface to QMCPACK. The latest code can be downloaded at either Sourceforge or github. (https://github.com/RMGDFT/rmgdft/releases/tag/v4.0.0). The on-line help files and examples have also been significantly enhanced.
The source code is available. Binary packages for different platforms are in the process of being generated.
he RMG developers are pleased to announce the release of version 4.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.0 is a major release that includes a number of new features, as well as bug fixes and performance enhancements. Version 4.0 provides support for stress calculations, non-collinear magnetism, spin-orbit coupling, DFT+U, hybrid functionals and exact exchange, as well as an interface to QMCPACK. The latest code can be downloaded at either Sourceforge or github. (https://github.com/RMGDFT/rmgdft/releases/tag/v4.0.0). The on-line help files and examples have also been significantly enhanced.
The source code is available. Binary packages for different platforms are in the process of being generated.