[Wien] k point

علاء عبد الحميد aladin331 at gmail.com
Mon Jan 14 20:24:43 CET 2008


Dear Wien2K users

Why the number of the k points in the case of super-cell becomes
leeser than the k point in the case of the bulk samples.

I have read that the calculations for the unit cell is obtained with
35 k-points, while for the supercell with vacancies the calculations
is obtained with only 2 k-points. It would be reasonable to compare
the results if all the calculations are converged with the number of
k-points.



sincerely

Aladin
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