QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: deepwave on June 4, 2012, 16:27
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how to change the parameter when it can not self-consistent under high bias, however, it can well self-consistent under small bias(atk12.2).thank you!
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If possible, please provide us more information about your calculations, e.g., what are the exact numbers for the high bias or small bias voltages mentioned by you? what kind of system is under your study?
Actually, if the applied bias voltage is too high, the use of Landauer-Buttiker approach could be not valid. In this forum there are several threads on the convergence problem of the calculations under high bias voltage, so you could check them by searching "high bias".
Since the calculations under small bias voltages can be converged, you could start from the converged case and gradually increase the bias voltage.
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in two proble system, i calculate the voltage from 0 to 1.5, but it can't self-consistent above 0.7V. and i don't know how to using the result of former converged cased, because the analysis from the file just analyze the properties under the same bias.