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Author Topic: Convergence Issues - No sign of convergence  (Read 3258 times)

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Offline ruyam

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Convergence Issues - No sign of convergence
« on: January 6, 2015, 22:09 »
Dear QW Staff,

I am facing convergence issues with a following structure of mine. An earlier structure with same atoms but with a slight variation got converged easily but its not working for this structure of mine. Can you please let me know how to solve my problem? Even after 190 iterations, there is no sign of convergence. Please find attached the python code.
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Offline ruyam

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Re: Convergence Issues - No sign of convergence
« Reply #1 on: January 8, 2015, 21:54 »
Pls reply
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Offline Anders Blom

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Re: Convergence Issues - No sign of convergence
« Reply #2 on: January 12, 2015, 11:26 »
The general approach to getting converged results at finite bias is to use the zero-bias solution as starting point, as described in many tutorials, e.g. http://quantumwise.com/publications/tutorials/item/114-i-v-curve-and-voltage-drop
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