N

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


Tests

Material Structure Atomic datasets Binding plot Binding data
BN Zincblende structure
F -4 3m (#216)
Small core B
Large core N
BN plot BN data
AlN Zincblende structure
F -4 3m (#216)
Small core Al
Large core Al
Large core N
AlN plot AlN data
ScN NaCl structure
Fm -3m (#225)
Small core Sc
Large core N
ScN plot ScN data
CrN NaCl structure
Fm -3m (#225)
Small core Cr
Large core N
CrN plot CrN data
GaN Zincblende structure
F -4 3m (#216)
Small core Ga
Large core N
GaN plot GaN data
YN NaCl structure
Fm -3m (#225)
Small core Y
Large core N
YN plot YN data