QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: yangzw1985 on May 12, 2009, 05:17
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Hi, I have calculated I-V characteristics of my two probe model. when the applied voltage of 0.4,0.8,1.2,1.6, the calculation finished normally with the sc is 70-100. But when the applied voltage of 0,0.2V, the calculation can not convergence, and log out window is still running with the sc is 300. why the low voltage calculation need so much time? can it finished normally? I really don't know the reason. Thanks!
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ATK uses the charge density of previous calculation. If you choose smaller voltage steps such as 0.01 volt, better convergence may be provided.
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Hi, I have calculated I-V characteristics of my two probe model. when the applied voltage of 0.4,0.8,1.2,1.6, the calculation finished normally with the sc is 70-100. But when the applied voltage of 0,0.2V, the calculation can not convergence, and log out window is still running with the sc is 300. why the low voltage calculation need so much time? can it finished normally? I really don't know the reason. Thanks!
Hi,have you solved your problem?Can you tell me how do you do with it? Thanks.
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i 've the same problem can you tell me how to deal with it thank you
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The answer is almost always quite system dependent on what to do. If you have more details, it will be straight forward to help you get going.