[Pw_forum] Problems with electrostatic corrections (Makov-Payne or density counter charge) for aperiodic systems in 4.2 version

[Eduardo Ariel Menendez Proupin]

2) Why the DCC correction is disabled in version 4.2? Indeed when setting
asume_isolated = 'dcc' and &EE input parameters to their default  values, I
obtain an error message "DCC correction is disabled". Looking in the
PW/input.f90 subroutine, one found that the dcc correction is disabled by an
immediate call to errore subroutine.

I guess some bug was discovered ans is not fixed yet.
I take the occasion to ask if the DCC correction has been or will be
available for slab calculations.
-- 


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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