[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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