[Pw_forum] Blyp exchange-correlation functional

[Paolo Giannozzi]

On Fri, 2014-05-16 at 20:00 +0100, BENYAHIA NEZHA wrote:

>  but what about the rest of my question!!!!!!
>     Why the calculation was done normally in the espresso5.0.2 
>     and it didn't crash with an inconsistent functional between 
>     the two elements

I won't believe it until I see it

P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222