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. <---------### -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131011/08761ca4/attachment.html
