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