[Pw_forum] about potentials given by PP

Eduardo Ariel Menendez Proupin eariel99 at gmail.com
Mon Oct 26 19:00:22 CET 2009


Hello,

I have some doubts about the input of the postprocessing code PP

   Variable:       plot_num


 Type:           INTEGER
   Description:    selects what to save in filplot:

                      0  = charge

                      1  = total potential V_bare+V_H + V_xc

                      2  = local ionic potential

                     11 = the V_bare + V_H potential

                      12 = the electric field potential

Doubt one: "local ionic potential" = V_bare ?
Doubt two: " the electric field potential" = V_H?
Doubt three "Does V_bare" includes only the local part of the
pseudopotentials?

Thank you

-- 
Eduardo Menendez
Departamento de Fisica
Facultad de Ciencias
Universidad de Chile
Phone: (56)(2)9787439
URL: http://fisica.ciencias.uchile.cl/~emenendez
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