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