I think you should make a plus U calculation.
2013/10/29 Halima Zaari <halimazaari at gmail.com> > > dear Quantum espresso users > i tried to compute GaN supercell with 56 atoms (attached file the dos and > scf.out) > the total dos of GaN has a mettalic behavior.if can someone to tell me is > this correct and logic?? > thanks in advance > -- > H.ZAARI > PhD Student in laboratory of magnetism and physics of high energy > Faculty of Sciences in Rabat - Morocco > Email:* halimazaari at gmail.com <boujnah.mourad at gmail.com> > * > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ------------------------------------------------------------------------------------------------------------ Yue-Wen FANG, PhD candidate Key Laboratory of Polar Materials and Devices, Ministry of Education<http://clpm.ecnu.edu.cn/> East China Normal University <http://english.ecnu.edu.cn/> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131029/130d694a/attachment.html
