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<body class='hmmessage'><div dir='ltr'><div> Dear <span style="font-size: 12pt;">Olayinka,</span></div><div><br></div> 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!!!!!!<div><pre><i> Why the calculation was</i><i> done normally in the esspresso5.0.2 and it didn't crash with an inconsistent functional between the two elements, </i><i>without forgetting that </i><i style="font-family: Calibri, sans-serif; font-size: 12pt;">the two </i><i style="font-family: Calibri, sans-serif; font-size: 12pt;">functional must be the same (lda/lda or gga/gga).</i></pre><pre><i style="font-family: Calibri, sans-serif; font-size: 12pt;"><br></i></pre><pre><i style="font-family: Calibri, sans-serif; font-size: 12pt;">Regards.</i></pre><pre><i style="font-family: Calibri, sans-serif; font-size: 12pt;">Nh Ben </i></pre></div> </div></body>
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