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 |