QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jerry on August 23, 2012, 09:09

Title: calculate the spin electron density difference
Post by: jerry on August 23, 2012, 09:09

Dear,

I want to calculate the spin electron density difference of zigzag graphene nanoribbons. Can you give me the script to do this? I want to show it in the 3D viewer.

Thanks a lot!

Title: Re: calculate the spin electron density difference
Post by: Anders Blom on August 23, 2012, 09:47

See http://quantumwise.com/documents/tutorials/latest/GrapheneBloch for instance