[Smeagol-discuss] Convergence problem at high bias

[Joy Nalumon]

Hi all,

For applied voltage = 0 and 0.2 V, I got the convergence.. When I increased bias voltage to 0.4 V, it's not converged.
I try to change DM.MixingWeight and DM.NumberPulay, but it doesn't work out for me.

Do you have any suggestion? Any parameter I should change to reach the convergence?
To solve this problem, if I will increase ElectronicTemperature, does it much affect my electrical conductance?

Thank you in advance

Sincerely yours,
Nalumon


      
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