[Pw_forum] Blyp exchange-correlation functional
BENYAHIA NEZHA
benyahia-nezha at hotmail.fr
Fri May 16 21:00:15 CEST 2014
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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