Dear colleagues:
I am simulating dynamics of a charged particle on a metallic slab. To
avoid difficulties with Coulomb energy of a charged cell, we use a
core-hole trick to introduce a compensatory positive charge directly
into a particle. However, the image-charge interaction is clearly
absent and we would like to bring it back.
Did anyone bother him/herslef to implement is in QE? I know VASP has
this capability, but it is out of scope.
Thanks in advance,
I.
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Ilya Ryabinkin
Postdoctoral Scholar
Physical and Environmental Sciences
University of Toronto Scarborough
http://www.utsc.utoronto.ca/~aizmaylov/Members.html
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