Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride

Henkel, PascalPascalHenkelMollenhauer, DoreenDoreenMollenhauer2022-11-252022-11-252021https://jlupub.ub.uni-giessen.de/handle/jlupub/9742http://dx.doi.org/10.22029/jlupub-9130enNamensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 Internationalddc:540Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride