[Pw_forum] supercell

[Yue-Wen Fang]

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>
> *
>
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-- 
------------------------------------------------------------------------------------------------------------
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/>
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