thank you very much Prof. Blaha and Pavel,
Prof. Blaha: Yes, in the paper author reported the sharp peal for lowest
exciton transition using BSE theory.
Prof. Pavel:
I do not have any experience about BSE calculations so for now I want to
bindup the project with DFT only.
I have finished the
fatima DFT píše v Čt 03. 08. 2017 v 15:50 +0530:
> Dear Users of Wien2k
>
> I want to simulate optical properties of a perovskite compound.
> In the literature people have reported a sharp peak at 1.6 eV while I
> am not getting it.
> Here is the file from literature and here is the file that I
Dear Users of Wien2k
I want to simulate optical properties of a perovskite compound.
In the literature people have reported a sharp peak at 1.6 eV while I am
not getting it.
Here is the file
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