[Pw_forum] ESM implementation

Niels Walet niels.walet at manchester.ac.uk
Mon Oct 12 17:35:54 CEST 2015


I was looking at the ESM implementation in QE, and note that case iv of Otani and Sugino doesn't seem to be implemented (\epsilon_r finite in the bulk on both sides)--what is the reason for that?
Does that have anything to do with the expressions for the Hartree energy, which I can't find in the original paper?
Niels

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