[Pw_forum] Local Potential

Nkosinathi Malaza nuttymalaza at gmail.com
Thu Oct 8 11:50:52 CEST 2015


Hi All,

On the out put file below what is the Local Potential Energy (Avg_local)?


  ESM Charge and Potential
  ========================

 z (A)   Tot chg (e/A)   Avg v_hartree        Avg v_local  Avg v_hart+v_loc
                                  (eV)                    (eV)
(eV)
 ==========================================================================
-15.27      0.0033       8719.6610967      -8718.3436135         1.3174832
-15.21      0.0027      10734.3266981     -10732.7006968         1.6260013



Kind regards
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