[Pw_forum] B3LYP: two conflicting matching values

[Dal Corso Andrea]

On Fri, 2010-03-26 at 15:52 +0100, Carlo Nervi wrote:
> 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

Probably ld1.x should stop in this case writing some message, but B3LYP
is a new feature and not all codes have been updated. 

Andrea


> 
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Andrea Dal Corso                    Tel. 0039-040-3787428
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