[gpaw-users] Dipole Correction in GPAW

[Hongliang Xin]

Dear All,

I got a simple question about GPAW. I do not know how GPAW makes dipole
correction in z-direction.
I found that even for a simple system like atomic oxygen adsorption on
silver surface, very large vacuum space (25A) is required to converge the
total energy. For system with core-hole on oxygen, it may require even
larger space.

Thanks,

Hongliang

-- 
Hongliang Xin
Ph.D. Candidate
Dept. of Chemical Engineering
University of Michigan
3166 HH Dow
2300 Hayward
Ann Arbor, MI 48109
Phone: (734) 647-8051
E-mail: hxin at umich.edu
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