GW, Bethe-Salpeter …
Moderators: maryam.azizi, bruneval
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Bewar
- Posts: 2
- Joined: Sat Jan 10, 2015 11:50 pm
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by Bewar » Tue Jan 13, 2015 11:29 pm
Hi everybody
I'm trying to find band gap by 'GW' i found 2.6 but experimentally 2.3, please can you help me how i can change input file till result become close to real band gap ..I'm using abinit 7
with regards ...
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moones
- Posts: 8
- Joined: Tue Aug 19, 2014 4:51 pm
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by moones » Fri May 01, 2015 5:24 am
Dear Bewar
1: You can do convergence study for your results.
2: May be results of bethe_salpeter calculation closer to the experimental data, and GW need to be corrected.
Best regards
moones