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?
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20131122/eeb1357a/attachment.html
