Re: [Wien] Help about mBJ

Hi, It is not from experiment, from theoretical investigation, yes it does not exist. Best Regards, 2017-03-29 14:22 GMT+03:00 hüsnü kara : > Hi, > > I mean that with mBJ and without mBJ. It is 0.6 eV without mBJ, 0.5 eV > with mBJ > > Best Regards, > > 2017-03-29 13:43

Re: [Wien] Help about mBJ

nz and Max Planck Institute for Chemical Physics of Solids 01187 Dresden Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von hüsnü kara [husnukar...@gmail.com] Gesendet: Mittwoch, 29. März 2017 12:43 An: A Mailing list for WIEN2k users Betreff: [

Re: [Wien] Help about mBJ

Hi, I mean that with mBJ and without mBJ. It is 0.6 eV without mBJ, 0.5 eV with mBJ Best Regards, 2017-03-29 13:43 GMT+03:00 hüsnü kara : > Dear Wien Users, > > I study on magnetic quaternary-Heusler alloys. I did band structure > calculations with GGA and GGA+mBJ

Re: [Wien] Help about mBJ

EN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Subject: [Wien] Help about mBJ Dear Wien Users, I study on magnetic quaternary-Heusler alloys. I did band structure calculations with GGA and GGA+mBJ approximations. I concluded that bandga

[Wien] Help about mBJ

Dear Wien Users, I study on magnetic quaternary-Heusler alloys. I did band structure calculations with GGA and GGA+mBJ approximations. I concluded that bandgaps with GGA+mBJ are smaller than ones with GGA. So could I tell that GGA+mBJ approximation is not appopriate for quaternary-Heusler alloys?