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] <mailto:[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] > <mailto:[email protected]> > Website: academicstaff.uk.ac.ir/moabbasnejad > <http://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
smime.p7s
Description: S/MIME cryptographic signature
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
