SIRIUS/4.8
Pre-release
Pre-release
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4708 commits
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This is a stable version of the code. This version contains:
- treatment of mixed NC/USPP/PAW species
- non-magnetic, magnetic collinear and non-collinear cases
- treatment of Gamma-point
- forces and stress tensor
- interface to https://github.com/electronic-structure/q-e/tree/sirius