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
