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- From: Konstantin Rushchanskii <konstantin.rushchanskii@cea.fr>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] some problems about electrooptical coefficient
- Date: Fri, 28 Mar 2008 15:44:02 +0100
Dear Kouliangzhi
> In my calculations, the lattice constants of ZnO are a=3.25,c=5.2 (from
> experimental values).
>
I think, a good ideas are:
1. to use fully relaxed theoretical structures.
2. to compare obtained theoretical values with experimental ones,
extrapolated to 0K temperature.
Best
- some problems about electrooptical coefficient, 寇良志, 03/28/2008
- Re: [abinit-forum] some problems about electrooptical coefficient, Konstantin Rushchanskii, 03/28/2008
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