[QE-users] Calculating the Madelung potential with QE

Christian F Gervasi cgervasi at uoregon.edu
Tue Jul 16 21:00:17 CEST 2019


Hello,

I am currently working on a supercell slab model of an ionic crystal and 
wanted to calculate the Madelung potential for atoms at the surface of 
the slab. I suspect that I can do this using pp.x, but am unsure of 
which plot_num will do that for me, if any of them will.

Thanks,

-- 
Christian Gervasi
Graduate Teaching Fellow
Nazin Group
University of Oregon
(541) 346-8150


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