[Pw_forum] hybrid function
Yundi Quan
jsqdmg at gmail.com
Fri Nov 22 23:17:36 CET 2013
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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