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RMG v4.3.1
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@elbriggs elbriggs released this 13 Jul 12:19
· 768 commits to master since this release
v4.3.1
1bfe4de

The RMG developers are pleased to announce the release of version 4.3.1 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 for Nvidia and AMD hardware. RMG v4.3.1 is a minor update to v4.3.0 which in addition to bug fixes and performance enhancements provided additional functionality that enables calculation of STM images, symmetrization of anti-ferromagnetic systems, internal ONCV pseudo-potentials which are now the default and GPU finite differencing for orthorhombic grids. The latest code can be downloaded at either Sourceforge or github.

While not directly included in this release it is compatible with a new web based input file configurator that simplifies setup for new users. The interface is available at.

https://share.streamlit.io/rmgdft/rmgwebinterface/main/main.py

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