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