Hello QE users!
I have been testing the convergence of energy in a Cu2O slab, I ran a lot
of calculations with differents parameter, but, when I am doing the ecutwfc
test, from 15 Ry to 200 Ry, i have a problem/error when the ecutwfc is 65
or 70. All others do not have any problem.
The error is:
Estimated max dynamical RAM per process > 295.16MB
Estimated total allocated dynamical RAM > 1180.62MB
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine ggen 1 (299008):
too many g-vectors
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
I do not know why it is the error, neither how can i fix it, i read the
forum, but always the answers are like as: " verify that you haven't given
in
input weird parameters (cutoff, fft dimensions) for the G-vector
grid, or very strange cells".
In my case, the input file and the geometry is the same for all
calculations, i only change the value of ecutwfc. The calculations does not
have any problem when ecutwfc is 60 or 75 Ry... I do not know what to do
for fix it... Any suggestions?
Regards
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