Li
Atompaw input | Atompaw output | Comments | Datasets |
Li.in | Li |
Li.LDA-PW-paw.xml.gz Li.LDA-PW-paw.abinit.gz Li.LDA-PW-paw.UPF.gz Li.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
LiF | NaCl structure Fm -3m (#225) |
Small core Li Large core F |
LiF plot | LiF data |
Li2O | Fluorite structure Fm -3m (#225) |
Small core Li Large core O |
Li2O plot | Li2O data |