[Pw_forum] Manual control of convergence threshold

MKondrin mkondrin at hppi.troitsk.ru
Sun Feb 8 12:49:52 CET 2015

Kalaiarasu S wrote:
> Dear all,
> During self consistency the threshold is automatically reduced when approaching convergence. Is there a way to stop this automatic reduction of convergence threshold.
> Thanks

AFAIK, yes. Set upscale parameter in the &ions card to 1.0. The reduced 
convergence threshold can not be made less then conv_thr/upscale. 
However I think that it will influence stress and forces calculations.

M. V. Kondrin (High Pressure Physics Institute RAS, Troitsk, Russia)

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