H
Atompaw input | Atompaw output | Comments | Datasets |
H.in | H |
H.LDA-PW-paw.xml.gz H.LDA-PW-paw.abinit.gz H.LDA-PW-paw.UPF.gz H.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
LiH | NaCl structure Fm -3m (#225) |
Small core Li Small core H |
LiH plot | LiH data |