Se

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


Tests

Material Structure Atomic datasets Binding plot Binding data
MnSe Zincblende structure
F -4 3m (#216)
Small core Mn
Large core Se
MnSe plot MnSe data