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QuantumATK => General Questions and Answers => Topic started by: marmotte on September 10, 2012, 15:57

Title: molecular device with drop buttom
Post by: marmotte on September 10, 2012, 15:57

Dear all,

I need some tutorials on how to construct molecular device (under custom builder). I need to see how to change the molecule or the electrodes using the drop configuration here. In fact, when I crop new molecules, I have a problem with the builder depending on the size of the molecule and its length. Could someone help me to follow special steps in order to make a new molecular device using the customer builder ?
best

Title: Re: molecular device with drop buttom
Post by: kstokbro on September 11, 2012, 12:53

There is a tutorial:
http://www.quantumwise.com/publications/tutorials/mini-tutorials/76-simple-way-to-build-a-molecular-device-structure
In the builder there is also an info button which gives some information.
Let me know if the information in this tutorial is sufficient.

You may also consider building it from scratch following the tutorial
http://www.quantumwise.com/publications/tutorials/builder/172-building-a-molecular-junction-au-dtb-au
this will give you more flexibility