nano tubes and graphene

Asked by uttam on 2016-08-31

Can siesta-4.0 is capable of doing calculations for nano-tubes and graphene.
kindly tell me in detail

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
Mirkos
Solved:
2016-09-13
Last query:
2016-09-13
Last reply:
2016-09-13
Nick Papior (nickpapior) said : #1

Yes, siesta (any version) is capable of performing simulations of nano-tubes and graphene. If you do a litterature search on siesta and graphene studies you will find numerous articles.

As for helping you perform such calculations I would advice you to contact a person with siesta experience with whom you can sit down, physically, and go through some tests examples.

Good luck.

Best Mirkos (mirkos) said : #2

What are the problem uttam?

uttam (uttamphy) said : #3

Thanks for response
My problem is the symmetry information like lattice vectors and bandline data i.e. symnetry directions for band structure