As
Atompaw input | Atompaw output | Comments | Datasets |
As.in | As | Author: Jamie Drewery |
As.LDA-PW-paw.xml.gz As.LDA-PW-paw.abinit.gz As.LDA-PW-paw.UPF.gz As.atomicdata.gz |
Tests
Material | Structure | Atomic datasets | Binding plot | Binding data |
GaAs | Zincblende structure F -4 3m (#216) |
Small core Ga Large core As |
GaAs plot | GaAs data |