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 |