[Pw_forum] jellium background

helen at fh.huji.ac.il helen at fh.huji.ac.il
Mon Nov 14 10:25:13 CET 2011

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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