forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

PAW Band Structure

From: ashman@nrl.navy.mil
To: forum@abinit.org
Subject: PAW Band Structure
Date: Fri, 31 Mar 2006 07:27:34 +0200

Dear Abinit,

Should it be possible to calculate the band structure using PAW in Abinit?
We have been calculating the band structure of Si using the uspp based PAW
and we are getting a very rough plot. We have followed the tutorial for the
Si band structure and modified the input to allow for the use of the PAW
method.

Thanks for any info on this.

Chris

PAW Band Structure, ashman, 03/31/2006