[Pw_forum] EXX_examples

Mon Sep 3 09:48:39 CEST 2012

What is exactly the error? because it is implemented (gamma_extrapolation
is also working) and I just run the bulk silicon example and everything
seems ok!

running PBE0 calculation for Si with nq=1,2,4
  running the scf calculation for Si with nq = 1 ... done
!    total energy              =     -15.90468197 Ry
  running the scf calculation for Si with nq = 2 ... done
!    total energy              =     -15.84995846 Ry
  running the scf calculation for Si with nq = 4 ...

best regards

Layla

2012/9/3 Saeedeh S Ravandi <sxr109320 at utdallas.edu>

> Dear Developers ,
>
>
> Quick Question; Is the EXX routine working in version 5.0.1 ?
> I am trying to run EXX_examples , and it gives me error in finding HSE and
> PBE0 for molecules?
> x_gamma_extrapolation is this working for versions 5.0.1 or 4.3.2 ??
>
> Thanks for your help
> --
> Best Regards,
> Saeedeh Ravandi
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