Construction of a metal-molecule-metal junction

[huixiaodemao0712]

Hi,

I have built a molecule junction according to tutorial:
http://quantumwise.com/publications/tutorials/builder/172-building-a-molecular-junction-au-dtb-au#userconsent#
 However, when I construct a device from bulk, I wanted to decrease the number of Au layer on the left to 3, equal to the case on the right, but failed.

Why the layer of electrode on the left can not be decreased to 3?

[Umberto Martinez]

seems you already have a 3 layer electrode on both sides.
It is the left part of your central region which consists of 4 layers (as it should, you may have to add more layer in the right side)

check our tutorials to learn how to properly set up a device, for example:
http://quantumwise.com/documents/tutorials/latest/ATKTutorialDevice/index.html/
http://quantumwise.com/documents/manuals/latest/VNLTutorial/index.html/

pay particular attention to the electrode extension regions!
http://quantumwise.com/documents/tutorials/latest/ATKTutorialDevice/index.html/chap.input.html