[Pw_forum] HYBRID XC not allowed in non-scf calculations

Eduardo Ariel Menendez Proupin eariel99 at gmail.com
Thu Oct 25 14:56:14 CEST 2012

Why ?
     Error in routine setup (1):
     HYBRID XC not allowed in non-scf calculations

I guess that to compute the exchange potential one needs to use the SCF
wavefunctions, and not only the charge density, and for this the
input/output of the wfc must be restructured.  Is it implemented in trunk
version. Is there a more fundamental reason for not doing it?


Eduardo Menendez Proupin
Departamento de Química Fisica Aplicada
Facultad de Ciencias
Universidad Autónoma de Madrid
28049 Madrid, Spain
Phone: +34 91 497 6706
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