[Wien] Regarding calculation of optical properties

[Mohaddeseh Abbasnejad]

Thank you for your reply.

Bests,
Mohaddeseh

On Sun, Oct 18, 2020 at 6:06 PM Tran, Fabien <fabien.tran at tuwien.ac.at>
wrote:

> For a particular system:
> By comparing the DFT result to the one obtained with an accurate method
> (e.g., experiment, BSE, GW, hybrid) if available.
> If no exp/BSE/GW/hybrid result is available, search for information in the
> literature about the accuracy of the DFT method for systems similar to
> yours.
>
> In general:
> Read the literature.
>
>
> From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Mohad
> Abbasnejad <mohaddeseh.abbasnejad at gmail.com>
> Sent: Saturday, October 17, 2020 1:09 PM
> To: A Mailing list for WIEN2k users
> Subject: [Wien] Regarding calculation of optical properties
>
> Dear experts,
>
> Actually, one of the challenging problems in calculating the optical
> properties by DFT method (using PBE or mbJ) is its accuracy. So, how is it
> possible to demonstrate the reliability of the results obtained by this
> method?
> Any comments would be appreciated.
>
> Regards,
> Mohaddeseh
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-- 
---------------------------------------------------------
Mohaddeseh Abbasnejad,
Assistant Professor of Physics,
Faculty of Physics,
Shahid Bahonar University of Kerman,
Kerman, Iran
P.O. Box 76169-133
Tel: +98 34 31322199
Fax: +98 34 33257434
Cellphone: +98 917 731 7514
E-Mail:     mohaddeseh.abbasnejad at gmail.com
Website:  academicstaff.uk.ac.ir/moabbasnejad
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