thanks for your reply. just i want to know why GaN is semiconductor but in epsilon.out i found Fermi energy is 11.66 eV the system is a metal???
2014-07-21 11:12 GMT+01:00 Layla Martin-Samos <lmartinsamos at gmail.com>: > you will never have the correct experimental gap with epsilon. Epsilon > implements Random Phase Approximation dielectric response with no-local > fields effects (and of course no-excitonic effects). You need to go to > state-of-art GW caluclations + Bethe-Salpeter. Or at least some hybrid > functional. Read > Electronic excitations: density-functional versus many-body > Green?s-function approaches Rev. Mod. Phys. *74*, 601 ? Published 7 June > 2002 Giovanni Onida, Lucia Reining, and Angel Rubio > > > cheers > > > Layla > > > 2014-07-21 11:30 GMT+02:00 Halima Zaari <halimazaari at gmail.com>: > >> Hello all, >> I am trying to find the optical properties of GaN which has Eg=3.4 eV >> using the epsilon.x >> i get the files containig the eloss fucntion and dielectric funtion but >> the file epsilon.out the epsilon file gives me the following information >> Fermi energy is 11.66 eV the system is a metal >> perfoming eps calculation >> the bulk xx plasomn is 12.41 >> haw i can solve this problem. >> thanks in advance >> >> >> -- >> H.ZAARI >> >> *PhD Student in laboratory of magnetism and physics of high energy >> (LMPHE)* >> *Faculty of Sciences in Rabat - Morocco* >> *Email:** halimazaari at gmail.com <halimazaari at gmail.com>* >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- H.ZAARI *PhD Student in laboratory of magnetism and physics of high energy (LMPHE)* *Faculty of Sciences in Rabat - Morocco* *Email:** halimazaari at gmail.com <halimazaari at gmail.com>* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140721/f023366b/attachment.html
