[Pw_forum] B3LYP: two conflicting matching values

Carlo Nervi carlo.nervi at unito.it
Fri Mar 26 15:52:15 CET 2010


Dal Corso Andrea ha scritto:
> On Fri, 2010-03-26 at 13:42 +0100, Carlo Nervi wrote:
>> I apologize to everybody...
>> it seems that it was a my mistake. I used again ld1.x and the errors 
>> does not pop up any more.... Very probably i was mixing different ld1.x 
>> compiled versions...
>> Sorry,
>> 	Carlo
> 
> Presently ld1.x does not support hybrid functionals. As far as I know, 
> so far nobody has implemented it. 
> 
> Andrea
> 
???
This is confusing to me...

I managed to generate a NC b3lyp PP, and apparently it works in PWSCF 
(compiled with -DEXX). Apparently a simple scf test worked out...
Of course, I had still no time to check whether this b3lyp PP is 
reliable or not... but this should be (I think) another question...

Am I wrong?
	Carlo

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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
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