[Pw_forum] What is the relation between dipole, dipole field and potential amp in output file?

yavar pour azar pourazar2012 at gmail.com
Tue Sep 24 17:04:57 CEST 2013


Dear QE users,
I want to calculate some properties for a slab+adsorbent system, by
considering dipole correction and set (eamp=0).
I have checked the dipole example and reference papers about dipole
correction, but I can't understand what is the relation between potential
amp and dipole which reported in out put file.

Also, in the two example (water and ni+co)  case we have set eamp=0, but in
the outputs they have zero (Ni+co)  and nonzero (water)  value for dipole
field.

I would appreciate it, if anyone explain this parameter relation.



Yavar T. Azar
PhD student
Physics Dept. Amir kabir Univ.
Tehran, Iran
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