[Pw_forum] Questions regarding the K-points for an SCF calculation includes two different crystal structure

[Tram Bui]

Dear QE Users,

      I'm currently running into this issue and I wonder how the k-points
can be chosen for a simple total energy calculation of a system includes an
interface between two different crystal structures such as hexagonal cubic
structure and simple cubic structure. Would anyone please give me some
suggestions?

Regards,

Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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