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[abinit-forum] generate the GW band structure


Chronological Thread 
  • 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



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