[QE-users] Restart Raman when nimage>1

Antoine Jay ajay at laas.fr
Fri Oct 2 12:53:24 CEST 2020


Dear all,
I had some trouble when doing a phonon calculation with qe6.6 combined with nimage>4.
When the run stop before the end of the 2nd order response (Raman tensor), which occurs quite often for big systems the restart crash.
Has this special case been tacken into account?

Antoine Jay
Laas cnrs
Toulouse, France


 
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