Thanks to all.Can you tell me how I put "fake boundary condition" i.e. putting the nano disk in a large enough box..
On Fri, Feb 7, 2014 at 9:11 PM, Bailey, Steven <[email protected]>wrote: > Taking the isolated disc will give you the energy levels (flat). You > need to connect the disc to periodic leads or make the discs periodic to > obtain the band structure of your system. > > > > Dr S Bailey > > Department of Physics > > Lancaster University UK > > Email: [email protected] > > Tel: +441524592844 > > > > *From:* [email protected] [mailto:[email protected]] *On > Behalf Of *Suman Chowdhury > *Sent:* 07 February 2014 15:19 > *To:* [email protected] > *Subject:* [SIESTA-L] Nanodisks > > > > Dear all, > > How do I calculate the electronic structure of graphene nano disks which > do not have any boundary condition by siesta? > > > > -- > > > > > *Junior research fellow Dept. of Physics, University of Calcutta > Kolkata- 700009, West Bengal, India.* > > * Ph no-+91-9830512232* > > > -- *Junior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
