standard representation in Band structure

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
ntuxi
Newbie
Newbie
Posts: 13
Joined: Tue Mar 23, 2010 5:14 am

standard representation in Band structure

#1 Post by ntuxi » Thu Sep 19, 2013 6:21 am

Dear Developers;

Does vasp can output the standard representation in Band structure ? like Gamma_1 Gamma_25 ?

Thanks
Last edited by ntuxi on Thu Sep 19, 2013 6:21 am, edited 1 time in total.
Top
admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

standard representation in Band structure

#2 Post by admin » Thu Sep 19, 2013 12:04 pm

VASP calculates the line of the bandstructure between two points defined in the k-space. When you define coordinates of standard points, like Gamma_1 and Gamma_25 then the calculated line is comparable with the line in the standard representation.
Last edited by admin on Thu Sep 19, 2013 12:04 pm, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”