[Wien] k-mesh for different structures

Yocefu Hattori yhattori17 at gmail.com
Thu Jul 24 20:21:47 UTC 2014


Dear users,


 I have to calculate and compare the total energy of InN in the wurtzite
and zinc blend phase and also In which is tetragonal. I've read in a
article which to compare materials with different structures (e.g. Cubic
and hexagonal) and with vacancies, the author used the same number of
k-points. I would like to know why it's correct?

I was thinking in just use the number of k-points such that the energy
converge for each structure.


Best regards,


 Yocefu Hattori.
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