[Pw_forum] Two vacuum energies with dipole correction

N H Joshi niharikaj at students.iiserpune.ac.in
Mon Apr 15 11:55:11 CEST 2013


Dear Ali,

Thanks a lot for your reply.

The work function value that I get without the dipole correction is 4.9 eV
and the with dipole correction I get 5 eV and 4.8 eV if I take lower and
higher potential value
in the vacuum region.

And I couldn't follow what you meant by 'without mixing_mode'.
Won't the code take the default mixing_mode? And how does it help in this
case?

With regards,
Niharika Joshi
Project student,
Department of Physics,
IISER, Pune
India.
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