Al
Atompaw input | Atompaw output | Comments | Datasets |
Al.in | Al |
Al.LDA-PW-paw.xml.gz Al.LDA-PW-paw.abinit.gz Al.LDA-PW-paw.UPF.gz Al.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
AlN | Zincblende structure F -4 3m (#216) |
Small core Al Large core Al Large core N |
AlN plot | AlN data |
fccAl | fcc structure F -3 m (#225) |
Small core Al Large core Al |
fccAl plot | fccAl data |