I found a blog where nuts and bolts of doing calculations in Quantum Espresso code. In the blog post from quantumbarista.blogspot.com , the author Ryan Cloke has discussed the "Electronic Structure Calculations of Graphene Nanoribbons Using Quantum Espresso".
This blog post provides a detailed description on how to compute the band structure of a graphene nanoribbon.
Have a look at it.
I will do calculations and update to you later.
This blog post provides a detailed description on how to compute the band structure of a graphene nanoribbon.
Have a look at it.
I will do calculations and update to you later.
great
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