[Pw_forum] How can I define a Supercell in my simulation?

[Reza Kalantari]

Dear all

I am PhD student and working on simulation of electronic structure of a
carbon nanotube after binding of an external biomolecule to this carbon
nanotube. I know that I should use supercell for this purpose but I don't
know how can I do it?

How can I define a supercell in my simulation?

Have you seen ever such as this simulation by Quantum-Espresso?


Best Regards

Reza Kalantari Nezhad
PhD Student
Mechanical Engineering
Amir Kabir University of Technology (Tehran Polytechnic)
Tehran
Iran
rkalantrari at aut.ac.ir
rezakalantarinezhad at gmail.com



Mobile Phone: 0098-935-2578543
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