Dear Paolo
?
Thanks very much for your reply. I read the lectures and I understand that
offset shift only points and not change the total energy. Am I wrong?
I?calculated energy for a system with two kinds of k_points (2 2 5 0 0 0 and 2
2 5 1 1 1) and I observed different energy for each of them. How to determine
the offset for any kpoints? Is there need for convergence?
Thanks in advance
Mahkameh Vaziri
? PhD student of physical chemistry
K. N. Toosi university of Technology, Tehran, Iran
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