Dear Nawaf,
You may be running out of memory. Try setting ecutfock=ecutwfc (or, at
most, 2*ecutwfc).
Best,
Michal Krompiec
Merck
On Sun, Jul 5, 2020 at 11:58 AM Nawaf A wrote:
> Dear QE users.
> I am trying to do an HSE calculation of 47 atoms (with 1 defect)
> calculation, but the calculations
Dear QE users.
I am trying to do an HSE calculation of 47 atoms (with 1 defect)
calculation, but the calculations stop after the PBE calculation. The
calculations run through the entire allotted time without printing any
output for the ACE calculation, I think the ACE calculation is not getting
