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