Dear Olayinka,
Firstly, Thank you for your response. I'am now sure that Blyp
exchange-correlation functional is a GGA's family. That's ok.. but what about
the rest of my question!!!!!! Why the calculation was done normally in the
esspresso5.0.2 and it didn't crash with an inconsistent functional between
the two elements, without forgetting that the two functional must be the
same (lda/lda or gga/gga).
Regards.Nh Ben
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