Enabling DFT Simulations of Large Metallic Systems by Integrating the PEXSI Method into CP2K
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- Source
- Subject
METALS (METALLURGY) DICHTEFUNKTIONALE (QUANTENCHEMIE U. QUANTENMECHANIK) DENSITY FUNCTIONALS (QUANTUM CHEMISTRY AND QUANTUM MECHANICS) Engineering & allied operations METALLE (METALLURGIE) - Language
- English