Thank you very much! Bests, Mohaddeseh
On Sat, Oct 17, 2020 at 3:03 PM pboulet <[email protected]> wrote: > Hello, > > According to me: > - compare with experimental data > - compare with more sophisticated methods (GW, BSE, …) > > Best, > Pascal Boulet > — > *Professor in computational materials - DEPARTMENT OF CHEMISTRY* > University of Aix-Marseille - Avenue Escadrille Normandie Niemen - > F-13013 Marseille - FRANCE > Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50 > Email : [email protected] > > > > > > > > > Le 17 oct. 2020 à 13:09, Mohad Abbasnejad <[email protected]> > a écrit : > > 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 > > -- > --------------------------------------------------------- > 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: [email protected] > Website: academicstaff.uk.ac.ir/moabbasnejad > --------------------------------------------------------- > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- --------------------------------------------------------- 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: [email protected] Website: academicstaff.uk.ac.ir/moabbasnejad ---------------------------------------------------------
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