[Pw_forum] B3LYP: two conflicting matching values
Dal Corso Andrea
dalcorso at sissa.it
Fri Mar 26 14:15:06 CET 2010
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
>
> Lorenzo Paulatto ha scritto:
> > On Fri, 26 Mar 2010 12:07:15 +0100, Carlo Nervi <carlo.nervi at unito.it>
> > wrote:
> >> P.S.: the same happens using the atomic_doc/paw_library/input/C.in by
> >> Lorenzo Paulatto if you modift dft='PBE' into dft='b3lyp'.
> >
> > PAW does not support BLYP nor exact exchange (yet?) so don't waste your
> > time on that.
> >
> > Unluckily, I have no clue about your primary question.
> >
> > regards
> >
>
>
--
Andrea Dal Corso Tel. 0039-040-3787428
SISSA, Via Beirut 2/4 Fax. 0039-040-3787528
34151 Trieste (Italy) e-mail: dalcorso at sissa.it
More information about the Pw_forum
mailing list