[Pw_forum] lattice optimization with hybrid

[Giuseppe Mattioli]

Dear Giacomo
I did it, some time ago (ZnO wurtzite, QE 4.x.y). The vc-relax calculation goes indeed somewhere, 
and the results may be quite reasonable. But, as I said to Paolo in an old thread on this subject, 
"thou shalt not perform unsupported calculations..." :-)
Giuseppe

On Wednesday 06 June 2012 08:36:35 Paolo Giannozzi wrote:
> On Jun 5, 2012, at 11:53 , giacsport at libero.it wrote:
> > reading it form the example README file for hybrid calculations
> > I understand that I can not optimize the lattice parameter
> > using the hybrid functional. Am I right?
> > Thus "relax" and NOT "vc-relax".  Correct?
> 
> just try and you will know for sure! P.
> 
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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