forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: <yelinhui@hotmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] generate the GW band structure
- Date: Thu, 5 Feb 2009 03:36:34 +0100 (CET)
Dear Users,
I saw from the usersguide that GW cannot calculate the states for k-points
located out of the GS integration k-mesh. How can I get the band structure
along some high-symmetry lines?
1. Can I do a GS self-consistency then followed by a non-scf GS band structre
and then move on to GW to get the GW band structure?
2. Or, if I cannot do 1, then can I do GW for the every k-point in the full GS
integration mesh, and then use Wannier to interpolate for the high-symmetry
line k-points?
Thanks.
Linhui
- [abinit-forum] generate the GW band structure, yelinhui, 02/05/2009
- Re: [abinit-forum] generate the GW band structure, D. R. Hamann, 02/05/2009
Archive powered by MHonArc 2.6.15.