Dear SIESTA users,
For transiesta calculation, one needs to define a atomic position block
then repeat it 3 times in the transport direction in order to add elecrides
on both sides. Now my question is, if electrode atoms, space group and
lattice constant were different from scattering region, how can I define
them to have all three parts side by side with positions exactly in order
from smallest to largest?

Best regards,
Ziba Torkashvand

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04/13/19,
6:08:20 PM

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