Dear all friends: I have a question on convergence criterion in supercell, which is:
For unit cell, I define "conv_thr" and "tr2_ph" to be 1*d-12 and
1*d-14,respectively. Then I take a 4*4*4 supercell, and is it
precise enough to define 4*4*4*d-12 and 4*4*4d-14 for "conv_thr"
and "tr2_ph" respectively? If it is not, what is the reason?
Thanks a lot for your time to read my letter!
And I would like greatly appreciate the one who can give me some resonable
rationale!
Best Wishes!
