LDA 1/2
2013/10/11 Arles V. Gil Rebaza <arvifis at gmail.com> > Dear Halima, try with hybrid functionals like HSE. this work with QE. > Please provide your institutional affiliation > Best > > PhD. Arles V. Gil Rebaza > IFLP - Argentina > > > 2013/10/11 Halima Zaari <halimazaari at gmail.com> > >> >> Deal QE Users >> I tried to make a calculation of GaN on the espresso code, it gives me a >> gap value of 0.59 eV while Eg (Exp)= 3.4 eV is there any method to >> approximate to the experimental one.? >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > ###---------> Arles V. <---------### > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ....Juli?n Ni?o.... -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131011/ea65948b/attachment.html
