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