how to setup continued fraction
Asked by
Yunpeng Wang
Hi transiesta users and developers,
I read the recent Computer Physics Communication paper about the new version of transiesta, and found that the "continued fraction" method for equilibrium Green function integration is implemented in transiesta. I am trying to test this option, since we only need one parameter in this case: the number of poles. In my test I used the following for the equilibrium contour:
TS.Contours.Eq.Pole -2.5 eV
TS.Contours.
The results make no sense, because the number of charges on each atom is negative. So there must be something wrong with my setup. Could you please give an example for using the "continued fraction" option?
Thank your very much.
Yun-Peng Wang
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