HELLO I work on beta -Ga2O3 I have 2 questions 1)after run of scf I dont know how calculate bandgap 2) in instgen_lapw I chose atomic configuration as no spin-polarization,is my chose correct please guid me thank -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110704/9dda2841/attachment.htm>
- [Wien] HOW do I calculate band gap bs bs
- [Wien] HOW do I calculate band gap sjal...@phys.ui.ac.ir