Hi,
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 Qu?mica Fisica Aplicada
Facultad de Ciencias
Universidad Aut?noma de Madrid
28049 Madrid, Spain
Phone: +34 91 497 6706
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