Zr

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


Tests

Material Structure Atomic datasets Binding plot Binding data
ZrC CaCl structure
Fm -3m (#225)
Small core Zr
Large core C
ZrC plot ZrC data