[gpaw-users] dipole correction

Misha Monder misha_monder at yahoo.com
Mon Jun 7 22:39:11 CEST 2010


Hello all,

Do I need to include dipole corrections (added to the 0.7 release version) for slab calculations that are not periodic in the z direction? I am assuming no because the erroneous electric field is introduced only when periodic boundaries are used. Am I correct in my understanding?

Thanks.

Cheers,

Misha
-- 
Misha Monder
Post doctoral fellow
Queen's - RMC Fuel Cell 
Research Centre and
Department of Chemical Engineering, Queen's 
University
Kingston, ON, Canada
www.fcrc.ca





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