[Wien] k-points of doped material

Seyyed Amir Abbas Emami a.a.emami at birjand.ac.ir
Sat Jul 25 20:20:00 CEST 2015


thank you ​dear delamora.
I did not grow the cell.actually supercell program just break the positions and i just replace some atoms by another element and i think the volume of cell not change considerably.Now can i reduce k-points, because as you said reciprocal lattice is connected to real space but i did not spread the cell.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150725/fe1718aa/attachment.html>


More information about the Wien mailing list