[Pw_forum] Relax calculation not converging

[Dimpy Sharma]

Hi Quantum espresso users,

I have been trying to perform a relax calculation in my system with 99 atoms (semiconductor system) and I am running my calculation in 48 processors. The calculation has finished 3 scf steps and finished 100 iterations, but after this it stops and it is showing me the following message .
' convergence NOT achieved after 100 iterations: stopping'

I have restart my calculation, still I got the same error message after 100 iteration steps.

Can any body give me any suggestion?

Thanks

Dimpy
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