Dear All, I am looking at partially charged systems (tot_charge=non-integer). I want to know how the compensating Jellium background is implemented in pwscf, as I need to know how it effects the calculated energy-values. I saw a similar question from 2005 but unfortunately the links included in the replies no longer work, Thank you Dr. Helen Eisenberg, Post-doctoral researcher, Fritz-Haber Center for Molecular Dynamics, Hebrew University.
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