A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory
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Updated
Jun 24, 2024 - C++
A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory
Domain specific library for electronic structure calculations
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Augmented Plane Waves (both APW and LAPW), band structure computation
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