[Pw_forum] lattice optimization with hybrid

Paolo Giannozzi giannozz at democritos.it
Wed Jun 6 08:36:35 CEST 2012


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.

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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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