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openmx

Here are 2 public repositories matching this topic...

pulkin / openmx-hks

A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files

python science physics matlab density-functional-theory solid-state-physics hamiltonian openmx kohn-sham

Updated Jan 12, 2021
C

mzjb / overlap-only-OpenMX

A patch for OpenMX package used to quickly compute overlap matrices for large-scale materials structure.

Updated Jul 19, 2022
C

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