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