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

Tram Bui trambui at u.boisestate.edu
Tue Oct 23 21:18:08 CEST 2012

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


Tram Bui

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