[Pw_forum] Bad termination in hybrid functional calculation (Sclauzero Gabriele)

[Rajdeep Banerjee]

Dear Gabriele,
                    Thanks a lot for the suggestion. I tried with a lower
ecut (as Mehmet Topsakal also suggested) and the problem goes away ! So, it
seems that it was a memory issue.
                     Even though I posted the following question already
(in reply to Mehmet Topsakal ) but I'd like to mention it here too:

  As I'm interested in band gap calculation and the calculations (e.g. band
gap) need to be converged with respect to both q-points and ecutwfc, should
I first set a lower ecut and check convergence with q-points or should it
be the other way 'round? (because in the second case my system may again
run out of memory before getting converged with respect to q-points)

Thanks in advance,
Rajdeep Banerjee
Ph. D. student
Theoretical Sciences Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
 Bangalore, India
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