[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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