Na
Atompaw input | Atompaw output | Comments | Datasets |
Na.in | Na |
Na.LDA-PW-paw.xml.gz Na.LDA-PW-paw.abinit.gz Na.LDA-PW-paw.UPF.gz Na.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
NaF | NaCl structure Fm -3m (#225) |
Small core Na Large core F |
NaF plot | NaF data |
NaCl | NaCl structure Fm -3m (#225) |
Small core Na Large core Cl |
NaCl plot | NaCl data |
Na2O | Fluorite structure Fm -3m (#225) |
Small core Na Large core O |
Na2O plot | Na2O data |