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GWA for Germanium


Chronological Thread 
  • From: Denis RIDEAU <denis.rideau@st.com>
  • To: forum@abinit.org
  • Subject: GWA for Germanium
  • Date: Thu, 22 Dec 2005 10:01:39 +0100

Dear abinit users:


I calculated the germanium GWA electronic band structure using ABINT. I performed LDA with theoritical lattice parameter (5.4767 A) and the GW correction was applied as a post-DFT scheme.
As expected, the GWA germanium band structure I obtained exhibit a poor
conduction band, in particular the direct gap is overestimated (1.8 eV). TM
pseudopotential and HGH pseudopotential provides similar results.
What can I do with ABINIT to improve these results?
Regards

Denis Rideau









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