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- From: wxw079000@utdallas.edu
- To: forum@abinit.org
- Subject: Thanks for the information about the InAs GW correction
- Date: Sun, 30 Mar 2008 23:09:36 +0200
Dear zeila,
Thank you for the reply, and I also noticed this paper, which is a very good
one.PhysRevB vol 75 (2007) 245121 "Model GW band structure of InAs and GaAs
in the wurtzite phase"
In my calculation, I use 3 electrons as valence without 4d electrons. As you
said, I will try 13 valence electron which is really timeconsuming.
To find the LDA gap in my calculation, I check it from the following
information, Is that the right way to find it?
##################
Perturbative Calculation
k = 0.000 0.000 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
4 -0.452 -10.890 -11.914 0.900 0.800 -0.249 -10.989 -0.099 -0.551
5 -0.452 -10.890 -10.499 -0.507 0.798 -0.253 -10.983 -0.093 -0.545
E^0_gap 0.000
E^GW_gap 0.006
DeltaE^GW_gap 0.006
############
Best wishes,
Weichao Wang
- Thanks for the information about the InAs GW correction, wxw079000, 03/30/2008
- Re: [abinit-forum] LDA 0 ev gap issue // Thanks for the information about the InAs GW correction, Zeila Zanolli, 03/31/2008
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