DIMS: A tool for setting up defects and impurities CASTEP calculations
Stavros‐Richard G. Christopoulos, Konstantina Papadopoulou, Alexandros Konios, David Parfitt
Topics & Concepts
CASTEPImpurityMaterials scienceChemistryComputational chemistryDensity functional theoryOrganic chemistrySemiconductor materials and devicesElectronic and Structural Properties of OxidesElectron and X-Ray Spectroscopy Techniques