Zn

Atompaw input Atompaw output Comments Datasets
Zn.in Zn Author: Chaochao Dun Zn.LDA-PW-paw.xml.gz
Zn.LDA-PW-paw.abinit.gz
Zn.LDA-PW-paw.UPF.gz
Zn.atomicdata.gz


Tests

Material Structure Atomic datasets Binding plot Binding data
ZnO Zincblende structure
F -4 3m (#216)
Small core Zn
Large core O
ZnO plot ZnO data
ZnS Zincblende structure
F -4 3m (#216)
Small core Zn
Large core S
ZnS plot ZnS data