Ca
Atompaw input | Atompaw output | Comments | Datasets |
Ca.in | Ca | Author: Jamie Drewery |
Ca.LDA-PW-paw.xml.gz Ca.LDA-PW-paw.abinit.gz Ca.LDA-PW-paw.UPF.gz Ca.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
CaO | NaCl structure Fm -3m (#225) |
Small core Ca Large core O |
CaO plot | CaO data |