[Wien] Supercell k-points for defects in Ge

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Mar 8 15:36:10 CET 2005

>      I  am using a Ge supercell with 64 atom and two defect sites.  Can
> someone give me an estimate
> of the number of kpoints needed for this type of calculation?

semiconductor + big cell => small number of k-points needed. A single one 
might be enough? Test !


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