[Wien] k-points of doped material

[delamora]

I do not know what is your starting structure, but if was "F" and with the supercell you changed it to "P" then you have a 4x larger cell.

I think that you go from F with 2 atoms to P with 16 atoms.

        Pablo


________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Seyyed Amir Abbas Emami <a.a.emami at birjand.ac.ir>
Enviado: sábado, 25 de julio de 2015 01:20 p. m.
Para: wien at zeus.theochem.tuwien.ac.at
Asunto: Re: [Wien] k-points of doped material

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.

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