surface band structure

Total energy, geometry optimization, DFT+U, spin....

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sevket simsek
Posts: 18
Joined: Tue May 11, 2010 1:05 pm

surface band structure

Post by sevket simsek » Tue Feb 28, 2012 9:11 am

Dear abinit user.

I would like to calculate surface band structure of materials. Abinit can calculate surface energy of materials, but I don't know wheter it calculate surface band structure. is there anyone that calculated surface band structure before.if there is, can yo send me an input file for surface band structure

Best regards...

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