[Pw_forum] hybrid function

[Arles V. Gil Rebaza]

what is your k-point mesh used ..???  nqx1, nqx2, nqx3 depends of these
values.. read the QE manual please.

best

PhD. Arles Gil Rebaza
IFLP - Argentina


2013/11/22 Yundi Quan <jsqdmg at gmail.com>

> Hi,
> I'm trying to calculate a strongly correlated system using hybrid
> functional method. Here are the parameters that I used.
>      ecutwfc = 12.0
>      input_dft = 'hse', nqx1 = 4, nqx2 = 4, nqx3 = 4,
>      x_gamma_extrapolation = .TRUE.
>      exxdiv_treatment = 'gygi-baldereschi',
>
> But I got the following error message.
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine exx_grid_init (2):
>       k + q is not an S*k
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Which parameter or parameters should I change?
>
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