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