Ni

Atompaw input Atompaw output Comments Datasets
Ni.in Ni Author: Jamie Drewery Ni.LDA-PW-paw.xml.gz
Ni.LDA-PW-paw.abinit.gz
Ni.LDA-PW-paw.UPF.gz
Ni.atomicdata.gz


Tests

Material Structure Atomic datasets Binding plot Binding data
NiO NaCl structure
Fm -3m (#225)
Small core Ni
Large core O
NiO plot NiO data