Mn

Atompaw input Atompaw output Comments Datasets
Mn.in Mn Author: Cameron Kates Mn.LDA-PW-paw.xml.gz
Mn.LDA-PW-paw.abinit.gz
Mn.LDA-PW-paw.UPF.gz
Mn.atomicdata.gz


Tests

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