Cl

Atompaw input Atompaw output Comments Datasets
Cl.in Cl Cl.LDA-PW-paw.xml.gz
Cl.LDA-PW-paw.abinit.gz
Cl.LDA-PW-paw.UPF.gz
Cl.atomicdata.gz


Tests

Material Structure Atomic datasets Binding plot Binding data
NaCl NaCl structure
Fm -3m (#225)
Small core Na
Large core Cl
NaCl plot NaCl data
KCl NaCl structure
Fm -3m (#225)
Small core K
Large core Cl
KCl plot KCl data
CuCl Zincblende structure
F -4 3m (#216)
Small core Cu
Large core Cl
CuCl plot CuCl data
RbCl NaCl structure
Fm -3m (#225)
Small core Rb
Large core Cl
RbCl plot RbCl data