Enabling DFT Simulations of Large Metallic Systems by Integrating the PEXSI Method into CP2K
Open access
Date
2015Type
- Master Thesis
ETH Bibliography
yes
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https://doi.org/10.3929/ethz-a-010738698Publication status
publishedPublisher
ETH ZürichSubject
DICHTEFUNKTIONALE (QUANTENCHEMIE U. QUANTENMECHANIK); METALS (METALLURGY); METALLE (METALLURGIE); DENSITY FUNCTIONALS (QUANTUM CHEMISTRY AND QUANTUM MECHANICS)Organisational unit
03947 - VandeVondele, Joost (ehemalig)
02160 - Dep. Materialwissenschaft / Dep. of Materials
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ETH Bibliography
yes
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