I don't know the full process but I'm pretty sure it involves reversing the 
polarity on the phase capacitor, if that might get you started.

-- 
  Matt Morgan
  [email protected]

On Sat, Sep 15, 2018, at 7:13 AM, [email protected] wrote:
> Hello SIESTA users,
> 
> I have to calculate band of a electrode-molecule-electrode system,
> especially the central molecule of a device, if anyone knows please give
> me suggestions how to calculate.
> 
> Regards
> Surender
> 
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