lspooky/openMX

OpenMX (Open source package for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials, and pseudo-atomic localized basis functions.


This is a companion discussion topic for the original entry at https://copr.fedorainfracloud.org/coprs/lspooky/openMX/