Br
Atompaw input | Atompaw output | Comments | Datasets |
Br.in | Br |
Br.LDA-PW-paw.xml.gz Br.LDA-PW-paw.abinit.gz Br.LDA-PW-paw.UPF.gz Br.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
KBr | NaCl structure Fm -3m (#225) |
Small core K Large core Br |
KBr plot | KBr data |
RbBr | NaBr structure Fm -3m (#225) |
Small core Rb Large core Br |
RbBr plot | RbBr data |