Dear Kakati,
I think you need to apply same condition for ecut and ecutrho when
using ultrasoft potential to PAW pseudopotential i.e ecutrho = 8 or 10
times ecut.
Sunday.
Quoting Bhargab Kakati <[email protected]>:
Dear experts,
I am trying to relax my alloy system but it is not converging even
after running for a very long time. I hava attached here the input
and outputs of the run. Any help in resloving the issue would be
highly appreciated.
Regards,
Bhargab Kakati
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