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

Reza Kalantari rezakalantarinezhad at gmail.com
Thu Dec 11 07:29:18 CET 2008

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)
rkalantrari at aut.ac.ir
rezakalantarinezhad at gmail.com

Mobile Phone: 0098-935-2578543
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081211/dae6246a/attachment.html>

More information about the users mailing list